N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-4-chloro-5-methylthiophene-2-carboxamide;N-[(1-amino-5-fluoroisoquinolin-6-yl)methyl]-4-chloro-5-methylthiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-1-[(1-ethylpiperidin-4-yl)methyl]benzimidazole-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-1-[(1-methylpiperidin-4-yl)methyl]indole-2-carboxamide;N-[[4-(aminomethyl)-2,6-dimethylphenyl]methyl]-4-chloro-5-methylthiophene-2-carboxamide;N-[(4-aminothieno[3,2-c]pyridin-2-yl)methyl]-4-chloro-5-methylthiophene-2-carboxamide

C112H119Cl4FN22O6S5 — CID 167665271

IUPACN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-4-chloro-5-methylthiophene-2-carboxamide;N-[(1-amino-5-fluoroisoquinolin-6-yl)methyl]-4-chloro-5-methylthiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-1-[(1-ethylpiperidin-4-yl)methyl]benzimidazole-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-1-[(1-methylpiperidin-4-yl)methyl]indole-2-carboxamide;N-[[4-(aminomethyl)-2,6-dimethylphenyl]methyl]-4-chloro-5-methylthiophene-2-carboxamide;N-[(4-aminothieno[3,2-c]pyridin-2-yl)methyl]-4-chloro-5-methylthiophene-2-carboxamide
SMILESCCN1CCC(Cn2c(C(=O)NCc3ccc4c(N)nccc4c3)nc3ccccc32)CC1.CN1CCC(Cn2c(C(=O)NCc3ccc4c(N)nccc4c3)cc3ccccc32)CC1.Cc1cc(CN)cc(C)c1CNC(=O)c1cc(Cl)c(C)s1.Cc1cc(N)nc(C)c1CNC(=O)c1cc(Cl)c(C)s1.Cc1sc(C(=O)NCc2cc3c(N)nccc3s2)cc1Cl.Cc1sc(C(=O)NCc2ccc3c(N)nccc3c2F)cc1Cl
InChIInChI=1S/C26H30N6O.C26H29N5O.C16H13ClFN3OS.C16H19ClN2OS.C14H12ClN3OS2.C14H16ClN3OS/c1-2-31-13-10-18(11-14-31)17-32-23-6-4-3-5-22(23)30-25(32)26(33)29-16-19-7-8-21-20(15-19)9-12-28-24(21)27;1-30-12-9-18(10-13-30)17-31-23-5-3-2-4-21(23)15-24(31)26(32)29-16-19-6-7-22-20(14-19)8-11-28-25(22)27;1-8-12(17)6-13(23-8)16(22)21-7-9-2-3-11-10(14(9)18)4-5-20-15(11)19;1-9-4-12(7-18)5-10(2)13(9)8-19-16(20)15-6-14(17)11(3)21-15;1-7-10(15)5-12(20-7)14(19)18-6-8-4-9-11(21-8)2-3-17-13(9)16;1-7-4-13(16)18-8(2)10(7)6-17-14(19)12-5-11(15)9(3)20-12/h3-9,12,15,18H,2,10-11,13-14,16-17H2,1H3,(H2,27,28)(H,29,33);2-8,11,14-15,18H,9-10,12-13,16-17H2,1H3,(H2,27,28)(H,29,32);2-6H,7H2,1H3,(H2,19,20)(H,21,22);4-6H,7-8,18H2,1-3H3,(H,19,20);2-5H,6H2,1H3,(H2,16,17)(H,18,19);4-5H,6H2,1-3H3,(H2,16,18)(H,17,19)
InChIKeySNUQTNSHIJREMH-UHFFFAOYSA-N
MW2190.48 g/mol
LogP22.56
Rot. Bonds24

About N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-4-chloro-5-methylthiophene-2-carboxamide;N-[(1-amino-5-fluoroisoquinolin-6-yl)methyl]-4-chloro-5-methylthiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-1-[(1-ethylpiperidin-4-yl)methyl]benzimidazole-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-1-[(1-methylpiperidin-4-yl)methyl]indole-2-carboxamide;N-[[4-(aminomethyl)-2,6-dimethylphenyl]methyl]-4-chloro-5-methylthiophene-2-carboxamide;N-[(4-aminothieno[3,2-c]pyridin-2-yl)methyl]-4-chloro-5-methylthiophene-2-carboxamide

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-4-chloro-5-methylthiophene-2-carboxamide;N-[(1-amino-5-fluoroisoquinolin-6-yl)methyl]-4-chloro-5-methylthiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-1-[(1-ethylpiperidin-4-yl)methyl]benzimidazole-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-1-[(1-methylpiperidin-4-yl)methyl]indole-2-carboxamide;N-[[4-(aminomethyl)-2,6-dimethylphenyl]methyl]-4-chloro-5-methylthiophene-2-carboxamide;N-[(4-aminothieno[3,2-c]pyridin-2-yl)methyl]-4-chloro-5-methylthiophene-2-carboxamide (PubChem CID 167665271) has the molecular formula C112H119Cl4FN22O6S5 and a molecular weight of 2190.48 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-4-chloro-5-methylthiophene-2-carboxamide;N-[(1-amino-5-fluoroisoquinolin-6-yl)methyl]-4-chloro-5-methylthiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-1-[(1-ethylpiperidin-4-yl)methyl]benzimidazole-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-1-[(1-methylpiperidin-4-yl)methyl]indole-2-carboxamide;N-[[4-(aminomethyl)-2,6-dimethylphenyl]methyl]-4-chloro-5-methylthiophene-2-carboxamide;N-[(4-aminothieno[3,2-c]pyridin-2-yl)methyl]-4-chloro-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-4-chloro-5-methylthiophene-2-carboxamide;N-[(1-amino-5-fluoroisoquinolin-6-yl)methyl]-4-chloro-5-methylthiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-1-[(1-ethylpiperidin-4-yl)methyl]benzimidazole-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-1-[(1-methylpiperidin-4-yl)methyl]indole-2-carboxamide;N-[[4-(aminomethyl)-2,6-dimethylphenyl]methyl]-4-chloro-5-methylthiophene-2-carboxamide;N-[(4-aminothieno[3,2-c]pyridin-2-yl)methyl]-4-chloro-5-methylthiophene-2-carboxamide
PubChem CID167665271
Molecular FormulaC112H119Cl4FN22O6S5
Molecular Weight2190.48 g/mol
Exact Mass2186.70
IUPAC NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-4-chloro-5-methylthiophene-2-carboxamide;N-[(1-amino-5-fluoroisoquinolin-6-yl)methyl]-4-chloro-5-methylthiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-1-[(1-ethylpiperidin-4-yl)methyl]benzimidazole-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-1-[(1-methylpiperidin-4-yl)methyl]indole-2-carboxamide;N-[[4-(aminomethyl)-2,6-dimethylphenyl]methyl]-4-chloro-5-methylthiophene-2-carboxamide;N-[(4-aminothieno[3,2-c]pyridin-2-yl)methyl]-4-chloro-5-methylthiophene-2-carboxamide
SMILESCCN1CCC(Cn2c(C(=O)NCc3ccc4c(N)nccc4c3)nc3ccccc32)CC1.CN1CCC(Cn2c(C(=O)NCc3ccc4c(N)nccc4c3)cc3ccccc32)CC1.Cc1cc(CN)cc(C)c1CNC(=O)c1cc(Cl)c(C)s1.Cc1cc(N)nc(C)c1CNC(=O)c1cc(Cl)c(C)s1.Cc1sc(C(=O)NCc2cc3c(N)nccc3s2)cc1Cl.Cc1sc(C(=O)NCc2ccc3c(N)nccc3c2F)cc1Cl
InChIInChI=1S/C26H30N6O.C26H29N5O.C16H13ClFN3OS.C16H19ClN2OS.C14H12ClN3OS2.C14H16ClN3OS/c1-2-31-13-10-18(11-14-31)17-32-23-6-4-3-5-22(23)30-25(32)26(33)29-16-19-7-8-21-20(15-19)9-12-28-24(21)27;1-30-12-9-18(10-13-30)17-31-23-5-3-2-4-21(23)15-24(31)26(32)29-16-19-6-7-22-20(14-19)8-11-28-25(22)27;1-8-12(17)6-13(23-8)16(22)21-7-9-2-3-11-10(14(9)18)4-5-20-15(11)19;1-9-4-12(7-18)5-10(2)13(9)8-19-16(20)15-6-14(17)11(3)21-15;1-7-10(15)5-12(20-7)14(19)18-6-8-4-9-11(21-8)2-3-17-13(9)16;1-7-4-13(16)18-8(2)10(7)6-17-14(19)12-5-11(15)9(3)20-12/h3-9,12,15,18H,2,10-11,13-14,16-17H2,1H3,(H2,27,28)(H,29,33);2-8,11,14-15,18H,9-10,12-13,16-17H2,1H3,(H2,27,28)(H,29,32);2-6H,7H2,1H3,(H2,19,20)(H,21,22);4-6H,7-8,18H2,1-3H3,(H,19,20);2-5H,6H2,1H3,(H2,16,17)(H,18,19);4-5H,6H2,1-3H3,(H2,16,18)(H,17,19)
InChIKeySNUQTNSHIJREMH-UHFFFAOYSA-N
XLogP22.56
TPSA424.40 Ų
H-Bond Donors12
H-Bond Acceptors27
Rotatable Bonds24
Heavy Atoms150
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002190.48
LogP ≤ 522.56
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1027

Analyze N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-4-chloro-5-methylthiophene-2-carboxamide;N-[(1-amino-5-fluoroisoquinolin-6-yl)methyl]-4-chloro-5-methylthiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-1-[(1-ethylpiperidin-4-yl)methyl]benzimidazole-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-1-[(1-methylpiperidin-4-yl)methyl]indole-2-carboxamide;N-[[4-(aminomethyl)-2,6-dimethylphenyl]methyl]-4-chloro-5-methylthiophene-2-carboxamide;N-[(4-aminothieno[3,2-c]pyridin-2-yl)methyl]-4-chloro-5-methylthiophene-2-carboxamide with MolForge

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Related Compounds

3-[[5-(4-aminopyrido[3,4-d]pyrimidin-6-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(4-fluoro-3-methylphenyl)ethyl]pyrazine-2-carboxamide;3-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(4-fluoro-3-methylphenyl)ethyl]pyrazine-2-carboxamide;5-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-3-[(1S)-1-(4-fluoro-3-methylphenyl)ethyl]pyrido[4,3-d]pyrimidin-4-one;N-[(1S)-1-(4-fluoro-3-methylphenyl)ethyl]-2-[[5-(1-methylimidazo[4,5-c]quinolin-8-yl)thiophen-2-yl]methylamino]-5-(trifluoromethyl)pyridine-3-carboxamide;N-[(4-fluoro-3-methylphenyl)methyl]-2-[[5-(1-methylimidazo[4,5-c]quinolin-8-yl)thiophen-2-yl]methylamino]pyridine-3-carboxamide;2-[[5-(1-methylimidazo[4,5-c]quinolin-8-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 159275399
3-[[5-(4-aminopyrido[3,4-d]pyrimidin-6-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-carboxamide;3-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-carboxamide;5-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-3-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrido[4,3-d]pyrimidin-4-one;N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-2-[[5-(1-methylimidazo[4,5-c]quinolin-8-yl)thiophen-2-yl]methylamino]-5-(trifluoromethyl)pyridine-3-carboxamide;N-[(3-fluoro-4-methylphenyl)methyl]-2-[[5-(1-methylimidazo[4,5-c]quinolin-8-yl)thiophen-2-yl]methylamino]pyridine-3-carboxamide;2-[[5-(1-methylimidazo[4,5-c]quinolin-8-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 159972431
5-[[5-(4-aminoquinolin-6-yl)thiophen-2-yl]methylamino]-3-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrido[4,3-d]pyrimidin-4-one;N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-2-[[5-(1-methylimidazo[4,5-c]quinolin-8-yl)thiophen-2-yl]methylamino]-5-(trifluoromethyl)pyridine-3-carboxamide;N-[(3-fluoro-4-methylphenyl)methyl]-2-[[5-(1-methylimidazo[4,5-c]quinolin-8-yl)thiophen-2-yl]methylamino]pyridine-3-carboxamide;2-[[5-(1-methylimidazo[4,5-c]quinolin-8-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 161997724
9,10-Bis(2,2-diphenylethenyl)anthracene;2,5-bis(2,2-diphenylethenyl)thiophene;2,5-bis[2-(4-phenylphenyl)ethenyl]pyrazine;3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12,14,16(20),17-nonaen-11-one;ethane;1-(2-phenylethenyl)-4-[4-(2-phenylethenyl)phenyl]benzene;spiro[18,25-diaza-7-azonianonacyclo[14.13.2.22,5.03,12.04,9.013,30.017,25.019,24.027,31]tritriaconta-1(29),2,4,9,11,13(30),14,16(31),17,19,21,23,27,32-tetradecaene-7,1'-benzimidazol-1-ium]-8,26-dione;6,17,19-trioxo-7,18-diphenyl-18-aza-7-azoniaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3(12),4(9),5(25),10,13(23),14,16(24),20-decaene-7-carbaldehyde;1,4,4-triphenylbuta-1,3-dienylbenzene
CID 157213926
CID 157251838
CID 157251838
N-[1-(1-benzothiophene-2-carbonyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(5-chloro-1H-indole-3-carbonyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(3,5-difluorobenzoyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(5-methyl-4-phenylthiophene-2-carbonyl)piperidin-4-yl]-N-phenylpropanamide;N-phenyl-N-(1-pyridin-2-ylpiperidin-4-yl)propanamide
CID 157465325
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-methyl-3-phenylquinoxaline-6-carboxamide;2-cyclopenta-1,4-dien-1-yl-N-(pyridin-3-ylmethyl)-3-thiophen-3-ylquinoxaline-6-carboxamide;N-(3-imidazol-1-ylpropyl)-2-methyl-3-phenylquinoxaline-6-carboxamide;(2-methyl-3-phenylquinoxalin-6-yl)-(1-pyrazin-2-ylpiperidin-4-yl)methanone;(2-methyl-3-phenylquinoxalin-6-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone;N-(2-pyridin-3-ylethyl)-2,3-dithiophen-2-ylquinoxaline-6-carboxamide;N-(2-pyridin-4-ylethyl)-2,3-dithiophen-2-ylquinoxaline-6-carboxamide
CID 157502011
N-benzyl-1-[1-[(4-chlorophenyl)methyl]imidazole-2-carbonyl]piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]benzimidazole-2-carbonyl]-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]pyrrole-2-carbonyl]-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide;[1-[(4-fluorophenyl)methyl]indol-2-yl]-[4-[[2-(4-methylphenyl)ethylamino]methyl]piperidin-1-yl]methanone
CID 157775614
[2-[3-(2-Chlorothiophen-3-yl)anilino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-[3-(3-methylthiophen-2-yl)anilino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-[3-(4-methylthiophen-3-yl)anilino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;piperazin-1-yl-[2-(3-pyridin-3-ylanilino)thieno[2,3-h]quinazolin-8-yl]methanone;piperazin-1-yl-[2-(3-pyridin-4-ylanilino)thieno[2,3-h]quinazolin-8-yl]methanone
CID 157877828
N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide;N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-1H-indole-3-carboxamide;N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]quinoline-2-carboxamide;1-(4-chloro-1H-indol-2-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine
CID 158215175
6-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-1H-imidazo[4,5-g]isoquinolin-5-one;6-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-2-methyl-1,3-dihydropyrrolo[3,4-g]isoquinolin-5-one;2-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-6-methyl-4-phenylisoquinolin-1-one;2-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-6-methyl-4-pyridin-4-ylisoquinolin-1-one;2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-4H-isoquinoline-1,3-dione
CID 158388770
CID 158547132
CID 158547132

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-4-chloro-5-methylthiophene-2-carboxamide;N-[(1-amino-5-fluoroisoquinolin-6-yl)methyl]-4-chloro-5-methylthiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-1-[(1-ethylpiperidin-4-yl)methyl]benzimidazole-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-1-[(1-methylpiperidin-4-yl)methyl]indole-2-carboxamide;N-[[4-(aminomethyl)-2,6-dimethylphenyl]methyl]-4-chloro-5-methylthiophene-2-carboxamide;N-[(4-aminothieno[3,2-c]pyridin-2-yl)methyl]-4-chloro-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-4-chloro-5-methylthiophene-2-carboxamide;N-[(1-amino-5-fluoroisoquinolin-6-yl)methyl]-4-chloro-5-methylthiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-1-[(1-ethylpiperidin-4-yl)methyl]benzimidazole-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-1-[(1-methylpiperidin-4-yl)methyl]indole-2-carboxamide;N-[[4-(aminomethyl)-2,6-dimethylphenyl]methyl]-4-chloro-5-methylthiophene-2-carboxamide;N-[(4-aminothieno[3,2-c]pyridin-2-yl)methyl]-4-chloro-5-methylthiophene-2-carboxamide (CID 167665271) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-4-chloro-5-methylthiophene-2-carboxamide;N-[(1-amino-5-fluoroisoquinolin-6-yl)methyl]-4-chloro-5-methylthiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-1-[(1-ethylpiperidin-4-yl)methyl]benzimidazole-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-1-[(1-methylpiperidin-4-yl)methyl]indole-2-carboxamide;N-[[4-(aminomethyl)-2,6-dimethylphenyl]methyl]-4-chloro-5-methylthiophene-2-carboxamide;N-[(4-aminothieno[3,2-c]pyridin-2-yl)methyl]-4-chloro-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-4-chloro-5-methylthiophene-2-carboxamide;N-[(1-amino-5-fluoroisoquinolin-6-yl)methyl]-4-chloro-5-methylthiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-1-[(1-ethylpiperidin-4-yl)methyl]benzimidazole-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-1-[(1-methylpiperidin-4-yl)methyl]indole-2-carboxamide;N-[[4-(aminomethyl)-2,6-dimethylphenyl]methyl]-4-chloro-5-methylthiophene-2-carboxamide;N-[(4-aminothieno[3,2-c]pyridin-2-yl)methyl]-4-chloro-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-4-chloro-5-methylthiophene-2-carboxamide;N-[(1-amino-5-fluoroisoquinolin-6-yl)methyl]-4-chloro-5-methylthiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-1-[(1-ethylpiperidin-4-yl)methyl]benzimidazole-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-1-[(1-methylpiperidin-4-yl)methyl]indole-2-carboxamide;N-[[4-(aminomethyl)-2,6-dimethylphenyl]methyl]-4-chloro-5-methylthiophene-2-carboxamide;N-[(4-aminothieno[3,2-c]pyridin-2-yl)methyl]-4-chloro-5-methylthiophene-2-carboxamide is CCN1CCC(Cn2c(C(=O)NCc3ccc4c(N)nccc4c3)nc3ccccc32)CC1.CN1CCC(Cn2c(C(=O)NCc3ccc4c(N)nccc4c3)cc3ccccc32)CC1.Cc1cc(CN)cc(C)c1CNC(=O)c1cc(Cl)c(C)s1.Cc1cc(N)nc(C)c1CNC(=O)c1cc(Cl)c(C)s1.Cc1sc(C(=O)NCc2cc3c(N)nccc3s2)cc1Cl.Cc1sc(C(=O)NCc2ccc3c(N)nccc3c2F)cc1Cl.
What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-4-chloro-5-methylthiophene-2-carboxamide;N-[(1-amino-5-fluoroisoquinolin-6-yl)methyl]-4-chloro-5-methylthiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-1-[(1-ethylpiperidin-4-yl)methyl]benzimidazole-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-1-[(1-methylpiperidin-4-yl)methyl]indole-2-carboxamide;N-[[4-(aminomethyl)-2,6-dimethylphenyl]methyl]-4-chloro-5-methylthiophene-2-carboxamide;N-[(4-aminothieno[3,2-c]pyridin-2-yl)methyl]-4-chloro-5-methylthiophene-2-carboxamide?
The InChIKey is SNUQTNSHIJREMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O.C26H29N5O.C16H13ClFN3OS.C16H19ClN2OS.C14H12ClN3OS2.C14H16ClN3OS/c1-2-31-13-10-18(11-14-31)17-32-23-6-4-3-5-22(23)30-25(32)26(33)29-16-19-7-8-21-20(15-19)9-12-28-24(21)27;1-30-12-9-18(10-13-30)17-31-23-5-3-2-4-21(23)15-24(31)26(32)29-16-19-6-7-22-20(14-19)8-11-28-25(22)27;1-8-12(17)6-13(23-8)16(22)21-7-9-2-3-11-10(14(9)18)4-5-20-15(11)19;1-9-4-12(7-18)5-10(2)13(9)8-19-16(20)15-6-14(17)11(3)21-15;1-7-10(15)5-12(20-7)14(19)18-6-8-4-9-11(21-8)2-3-17-13(9)16;1-7-4-13(16)18-8(2)10(7)6-17-14(19)12-5-11(15)9(3)20-12/h3-9,12,15,18H,2,10-11,13-14,16-17H2,1H3,(H2,27,28)(H,29,33);2-8,11,14-15,18H,9-10,12-13,16-17H2,1H3,(H2,27,28)(H,29,32);2-6H,7H2,1H3,(H2,19,20)(H,21,22);4-6H,7-8,18H2,1-3H3,(H,19,20);2-5H,6H2,1H3,(H2,16,17)(H,18,19);4-5H,6H2,1-3H3,(H2,16,18)(H,17,19).
What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-4-chloro-5-methylthiophene-2-carboxamide;N-[(1-amino-5-fluoroisoquinolin-6-yl)methyl]-4-chloro-5-methylthiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-1-[(1-ethylpiperidin-4-yl)methyl]benzimidazole-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-1-[(1-methylpiperidin-4-yl)methyl]indole-2-carboxamide;N-[[4-(aminomethyl)-2,6-dimethylphenyl]methyl]-4-chloro-5-methylthiophene-2-carboxamide;N-[(4-aminothieno[3,2-c]pyridin-2-yl)methyl]-4-chloro-5-methylthiophene-2-carboxamide?
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-4-chloro-5-methylthiophene-2-carboxamide;N-[(1-amino-5-fluoroisoquinolin-6-yl)methyl]-4-chloro-5-methylthiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-1-[(1-ethylpiperidin-4-yl)methyl]benzimidazole-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-1-[(1-methylpiperidin-4-yl)methyl]indole-2-carboxamide;N-[[4-(aminomethyl)-2,6-dimethylphenyl]methyl]-4-chloro-5-methylthiophene-2-carboxamide;N-[(4-aminothieno[3,2-c]pyridin-2-yl)methyl]-4-chloro-5-methylthiophene-2-carboxamide has a molecular weight of 2190.48 g/mol, XLogP of 22.56, 24 rotatable bonds, 12 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-4-chloro-5-methylthiophene-2-carboxamide;N-[(1-amino-5-fluoroisoquinolin-6-yl)methyl]-4-chloro-5-methylthiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-1-[(1-ethylpiperidin-4-yl)methyl]benzimidazole-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-1-[(1-methylpiperidin-4-yl)methyl]indole-2-carboxamide;N-[[4-(aminomethyl)-2,6-dimethylphenyl]methyl]-4-chloro-5-methylthiophene-2-carboxamide;N-[(4-aminothieno[3,2-c]pyridin-2-yl)methyl]-4-chloro-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 167665271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).