N-(3-amino-4-methylphenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[3-(diaminomethylideneamino)-4-methylphenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;(E)-3-(dimethylamino)-1-pyridin-3-ylprop-2-en-1-one;methane;methyl 4-[(4-methylpiperazin-1-yl)methyl]benzoate;4-methyl-3-nitroaniline;N-(4-methyl-3-nitrophenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide;4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;prop-1-ene

C126H163N27O11 — CID 159191449

IUPACN-(3-amino-4-methylphenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[3-(diaminomethylideneamino)-4-methylphenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;(E)-3-(dimethylamino)-1-pyridin-3-ylprop-2-en-1-one;methane;methyl 4-[(4-methylpiperazin-1-yl)methyl]benzoate;4-methyl-3-nitroaniline;N-(4-methyl-3-nitrophenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide;4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;prop-1-ene
SMILESC.C.C=CC.CN(C)/C=C/C(=O)c1cccnc1.COC(=O)c1ccc(CN2CCN(C)CC2)cc1.Cc1ccc(N)cc1[N+](=O)[O-].Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1N.Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1N=C(N)N.Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1.Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1[N+](=O)[O-]
InChIInChI=1S/C29H31N7O.C21H28N6O.C20H24N4O3.C20H26N4O.C14H20N2O2.C10H12N2O.C7H8N2O2.C3H6.2CH4/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36;1-15-3-8-18(13-19(15)25-21(22)23)24-20(28)17-6-4-16(5-7-17)14-27-11-9-26(2)10-12-27;1-15-3-8-18(13-19(15)24(26)27)21-20(25)17-6-4-16(5-7-17)14-23-11-9-22(2)10-12-23;1-15-3-8-18(13-19(15)21)22-20(25)17-6-4-16(5-7-17)14-24-11-9-23(2)10-12-24;1-15-7-9-16(10-8-15)11-12-3-5-13(6-4-12)14(17)18-2;1-12(2)7-5-10(13)9-4-3-6-11-8-9;1-5-2-3-6(8)4-7(5)9(10)11;1-3-2;;/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34);3-8,13H,9-12,14H2,1-2H3,(H,24,28)(H4,22,23,25);3-8,13H,9-12,14H2,1-2H3,(H,21,25);3-8,13H,9-12,14,21H2,1-2H3,(H,22,25);3-6H,7-11H2,1-2H3;3-8H,1-2H3;2-4H,8H2,1H3;3H,1H2,2H3;2*1H4/b;;;;;7-5+;;;;
InChIKeyKODFKBWJHISARL-BBNYCLLPSA-N
MW2231.87 g/mol
LogP18.48
Rot. Bonds28

About N-(3-amino-4-methylphenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[3-(diaminomethylideneamino)-4-methylphenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;(E)-3-(dimethylamino)-1-pyridin-3-ylprop-2-en-1-one;methane;methyl 4-[(4-methylpiperazin-1-yl)methyl]benzoate;4-methyl-3-nitroaniline;N-(4-methyl-3-nitrophenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide;4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;prop-1-ene

N-(3-amino-4-methylphenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[3-(diaminomethylideneamino)-4-methylphenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;(E)-3-(dimethylamino)-1-pyridin-3-ylprop-2-en-1-one;methane;methyl 4-[(4-methylpiperazin-1-yl)methyl]benzoate;4-methyl-3-nitroaniline;N-(4-methyl-3-nitrophenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide;4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;prop-1-ene (PubChem CID 159191449) has the molecular formula C126H163N27O11 and a molecular weight of 2231.87 g/mol. Its IUPAC name is N-(3-amino-4-methylphenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[3-(diaminomethylideneamino)-4-methylphenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;(E)-3-(dimethylamino)-1-pyridin-3-ylprop-2-en-1-one;methane;methyl 4-[(4-methylpiperazin-1-yl)methyl]benzoate;4-methyl-3-nitroaniline;N-(4-methyl-3-nitrophenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide;4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;prop-1-ene.

Molecular Properties

Compound NameN-(3-amino-4-methylphenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[3-(diaminomethylideneamino)-4-methylphenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;(E)-3-(dimethylamino)-1-pyridin-3-ylprop-2-en-1-one;methane;methyl 4-[(4-methylpiperazin-1-yl)methyl]benzoate;4-methyl-3-nitroaniline;N-(4-methyl-3-nitrophenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide;4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;prop-1-ene
PubChem CID159191449
Molecular FormulaC126H163N27O11
Molecular Weight2231.87 g/mol
Exact Mass2230.30
IUPAC NameN-(3-amino-4-methylphenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[3-(diaminomethylideneamino)-4-methylphenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;(E)-3-(dimethylamino)-1-pyridin-3-ylprop-2-en-1-one;methane;methyl 4-[(4-methylpiperazin-1-yl)methyl]benzoate;4-methyl-3-nitroaniline;N-(4-methyl-3-nitrophenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide;4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;prop-1-ene
SMILESC.C.C=CC.CN(C)/C=C/C(=O)c1cccnc1.COC(=O)c1ccc(CN2CCN(C)CC2)cc1.Cc1ccc(N)cc1[N+](=O)[O-].Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1N.Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1N=C(N)N.Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1.Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1[N+](=O)[O-]
InChIInChI=1S/C29H31N7O.C21H28N6O.C20H24N4O3.C20H26N4O.C14H20N2O2.C10H12N2O.C7H8N2O2.C3H6.2CH4/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36;1-15-3-8-18(13-19(15)25-21(22)23)24-20(28)17-6-4-16(5-7-17)14-27-11-9-26(2)10-12-27;1-15-3-8-18(13-19(15)24(26)27)21-20(25)17-6-4-16(5-7-17)14-23-11-9-22(2)10-12-23;1-15-3-8-18(13-19(15)21)22-20(25)17-6-4-16(5-7-17)14-24-11-9-23(2)10-12-24;1-15-7-9-16(10-8-15)11-12-3-5-13(6-4-12)14(17)18-2;1-12(2)7-5-10(13)9-4-3-6-11-8-9;1-5-2-3-6(8)4-7(5)9(10)11;1-3-2;;/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34);3-8,13H,9-12,14H2,1-2H3,(H,24,28)(H4,22,23,25);3-8,13H,9-12,14H2,1-2H3,(H,21,25);3-8,13H,9-12,14,21H2,1-2H3,(H,22,25);3-6H,7-11H2,1-2H3;3-8H,1-2H3;2-4H,8H2,1H3;3H,1H2,2H3;2*1H4/b;;;;;7-5+;;;;
InChIKeyKODFKBWJHISARL-BBNYCLLPSA-N
XLogP18.48
TPSA461.72 Ų
H-Bond Donors9
H-Bond Acceptors30
Rotatable Bonds28
Heavy Atoms164
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002231.87
LogP ≤ 518.48
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-(3-amino-4-methylphenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[3-(diaminomethylideneamino)-4-methylphenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;(E)-3-(dimethylamino)-1-pyridin-3-ylprop-2-en-1-one;methane;methyl 4-[(4-methylpiperazin-1-yl)methyl]benzoate;4-methyl-3-nitroaniline;N-(4-methyl-3-nitrophenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide;4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;prop-1-ene with MolForge

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Related Compounds

Risvodetinib
CID 122650693
Risvodetinib Succinate
CID 171390013
[3-[2-[3-Fluoro-2-methyl-5-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]anilino]pyrimidin-4-yl]-4-pyridinyl]methyl 4-[(4-methylpiperazin-1-yl)methyl]benzoate
CID 123254349
6-(5-amino-2-methylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-7,8-dihydropyrido[4,3-d]pyrimidin-5-one;(3E)-3-(dimethylaminomethylidene)-1-(2-methyl-5-nitrophenyl)piperidine-2,4-dione;1-isocyanato-3-methylbenzene;N-[4-methyl-3-[2-[4-(4-methylpiperazin-1-yl)anilino]-5-oxo-7,8-dihydropyrido[4,3-d]pyrimidin-6-yl]phenyl]-4-(trifluoromethyl)benzamide;6-(2-methyl-5-nitrophenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-7,8-dihydropyrido[4,3-d]pyrimidin-5-one;2-[4-(4-methylpiperazin-1-yl)phenyl]guanidine
CID 159502919
6-(5-amino-2-methylphenyl)-2-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]-7,8-dihydropyrido[4,3-d]pyrimidin-5-one;(3E)-3-(dimethylaminomethylidene)-1-(2-methyl-5-nitrophenyl)piperidine-2,4-dione;3-methylbenzoic acid;N-[4-methyl-3-[2-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]-5-oxo-7,8-dihydropyrido[4,3-d]pyrimidin-6-yl]phenyl]-3-(trifluoromethyl)benzamide;2-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]-6-(2-methyl-5-nitrophenyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one;2-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]guanidine
CID 159640206
6-(5-amino-2-methylphenyl)-N-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine;5-bromopyrimidine;(3Z)-3-(dimethylaminomethylidene)-1-(2-methyl-5-nitrophenyl)piperidin-4-one;guanidine;3-methylbenzoic acid;6-(2-methyl-5-nitrophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine;6-(2-methyl-5-nitrophenyl)-N-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine;N-[4-methyl-3-[2-(pyrimidin-5-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]phenyl]-3-(trifluoromethyl)benzamide;carbonate
CID 159992933
sodium;(E)-3-(dimethylamino)-1-pyridin-3-ylprop-2-en-1-one;ethanol;ethyl 3-amino-4-methylbenzoate;ethyl 3-(diaminomethylideneamino)-4-methylbenzoate;ethyl 4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzoate;3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)aniline;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide;4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzoic acid;hydroxide;nitrate
CID 161263430
benzoic acid;4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide
CID 11215679
4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;pyridine-3-carboxylic acid
CID 42613030
Ethyl 2-[bis[2-[(3-nitro-2-pyridinyl)amino]ethyl]amino]-4-(4-carbamoylphenyl)-6-ethylpyrimidine-5-carboxylate
CID 57063397
Methyl 4-[4-(3-amino-2-pyridinyl)piperazine-1-carbonyl]benzoate;methyl 4-[4-(3-nitro-2-pyridinyl)piperazine-1-carbonyl]benzoate
CID 67671879
[4-[[4-Methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]carbamoyl]phenyl]methyl 4-[(4-methylpiperazin-1-yl)methyl]benzoate
CID 68027184

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylphenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[3-(diaminomethylideneamino)-4-methylphenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;(E)-3-(dimethylamino)-1-pyridin-3-ylprop-2-en-1-one;methane;methyl 4-[(4-methylpiperazin-1-yl)methyl]benzoate;4-methyl-3-nitroaniline;N-(4-methyl-3-nitrophenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide;4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;prop-1-ene?
The IUPAC name of N-(3-amino-4-methylphenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[3-(diaminomethylideneamino)-4-methylphenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;(E)-3-(dimethylamino)-1-pyridin-3-ylprop-2-en-1-one;methane;methyl 4-[(4-methylpiperazin-1-yl)methyl]benzoate;4-methyl-3-nitroaniline;N-(4-methyl-3-nitrophenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide;4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;prop-1-ene (CID 159191449) is N-(3-amino-4-methylphenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[3-(diaminomethylideneamino)-4-methylphenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;(E)-3-(dimethylamino)-1-pyridin-3-ylprop-2-en-1-one;methane;methyl 4-[(4-methylpiperazin-1-yl)methyl]benzoate;4-methyl-3-nitroaniline;N-(4-methyl-3-nitrophenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide;4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;prop-1-ene.
What is the SMILES notation for N-(3-amino-4-methylphenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[3-(diaminomethylideneamino)-4-methylphenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;(E)-3-(dimethylamino)-1-pyridin-3-ylprop-2-en-1-one;methane;methyl 4-[(4-methylpiperazin-1-yl)methyl]benzoate;4-methyl-3-nitroaniline;N-(4-methyl-3-nitrophenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide;4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;prop-1-ene?
The canonical SMILES for N-(3-amino-4-methylphenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[3-(diaminomethylideneamino)-4-methylphenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;(E)-3-(dimethylamino)-1-pyridin-3-ylprop-2-en-1-one;methane;methyl 4-[(4-methylpiperazin-1-yl)methyl]benzoate;4-methyl-3-nitroaniline;N-(4-methyl-3-nitrophenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide;4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;prop-1-ene is C.C.C=CC.CN(C)/C=C/C(=O)c1cccnc1.COC(=O)c1ccc(CN2CCN(C)CC2)cc1.Cc1ccc(N)cc1[N+](=O)[O-].Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1N.Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1N=C(N)N.Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1.Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1[N+](=O)[O-].
What is the InChIKey of N-(3-amino-4-methylphenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[3-(diaminomethylideneamino)-4-methylphenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;(E)-3-(dimethylamino)-1-pyridin-3-ylprop-2-en-1-one;methane;methyl 4-[(4-methylpiperazin-1-yl)methyl]benzoate;4-methyl-3-nitroaniline;N-(4-methyl-3-nitrophenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide;4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;prop-1-ene?
The InChIKey is KODFKBWJHISARL-BBNYCLLPSA-N. The full InChI is InChI=1S/C29H31N7O.C21H28N6O.C20H24N4O3.C20H26N4O.C14H20N2O2.C10H12N2O.C7H8N2O2.C3H6.2CH4/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36;1-15-3-8-18(13-19(15)25-21(22)23)24-20(28)17-6-4-16(5-7-17)14-27-11-9-26(2)10-12-27;1-15-3-8-18(13-19(15)24(26)27)21-20(25)17-6-4-16(5-7-17)14-23-11-9-22(2)10-12-23;1-15-3-8-18(13-19(15)21)22-20(25)17-6-4-16(5-7-17)14-24-11-9-23(2)10-12-24;1-15-7-9-16(10-8-15)11-12-3-5-13(6-4-12)14(17)18-2;1-12(2)7-5-10(13)9-4-3-6-11-8-9;1-5-2-3-6(8)4-7(5)9(10)11;1-3-2;;/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34);3-8,13H,9-12,14H2,1-2H3,(H,24,28)(H4,22,23,25);3-8,13H,9-12,14H2,1-2H3,(H,21,25);3-8,13H,9-12,14,21H2,1-2H3,(H,22,25);3-6H,7-11H2,1-2H3;3-8H,1-2H3;2-4H,8H2,1H3;3H,1H2,2H3;2*1H4/b;;;;;7-5+;;;;.
What are the key properties of N-(3-amino-4-methylphenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[3-(diaminomethylideneamino)-4-methylphenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;(E)-3-(dimethylamino)-1-pyridin-3-ylprop-2-en-1-one;methane;methyl 4-[(4-methylpiperazin-1-yl)methyl]benzoate;4-methyl-3-nitroaniline;N-(4-methyl-3-nitrophenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide;4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;prop-1-ene?
N-(3-amino-4-methylphenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[3-(diaminomethylideneamino)-4-methylphenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;(E)-3-(dimethylamino)-1-pyridin-3-ylprop-2-en-1-one;methane;methyl 4-[(4-methylpiperazin-1-yl)methyl]benzoate;4-methyl-3-nitroaniline;N-(4-methyl-3-nitrophenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide;4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;prop-1-ene has a molecular weight of 2231.87 g/mol, XLogP of 18.48, 28 rotatable bonds, 9 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylphenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[3-(diaminomethylideneamino)-4-methylphenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;(E)-3-(dimethylamino)-1-pyridin-3-ylprop-2-en-1-one;methane;methyl 4-[(4-methylpiperazin-1-yl)methyl]benzoate;4-methyl-3-nitroaniline;N-(4-methyl-3-nitrophenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide;4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;prop-1-ene is sourced from PubChem (CID 159191449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).