[6-[[3-(aminomethyl)cyclohexyl]methylamino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-[[2-(aminomethyl)-2-phenylbutyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-(3-amino-3-phenylpropoxy)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[5-(furan-2-yl)-2-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-4-pyridinyl]methanone;molecular hydrogen

C87H124F9N19O6 — CID 159010833

IUPAC[6-[[3-(aminomethyl)cyclohexyl]methylamino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-[[2-(aminomethyl)-2-phenylbutyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-(3-amino-3-phenylpropoxy)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[5-(furan-2-yl)-2-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-4-pyridinyl]methanone;molecular hydrogen
SMILESCC(C)C[C@H]1CN(c2cc(C(=O)c3cccnc3N)c(-c3ccco3)cn2)CCN1.CCC(CN)(CNc1ccc(C(F)(F)F)c(C(=O)c2cccnc2N)n1)c1ccccc1.NCC1CCCC(CNc2ccc(C(F)(F)F)c(C(=O)c3cccnc3N)n2)C1.Nc1ncccc1C(=O)c1nc(OCCC(N)c2ccccc2)ccc1C(F)(F)F.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C23H24F3N5O.C23H27N5O2.C21H19F3N4O2.C20H24F3N5O.15H2/c1-2-22(13-27,15-7-4-3-5-8-15)14-30-18-11-10-17(23(24,25)26)19(31-18)20(32)16-9-6-12-29-21(16)28;1-15(2)11-16-14-28(9-8-25-16)21-12-18(19(13-27-21)20-6-4-10-30-20)22(29)17-5-3-7-26-23(17)24;22-21(23,24)15-8-9-17(30-12-10-16(25)13-5-2-1-3-6-13)28-18(15)19(29)14-7-4-11-27-20(14)26;21-20(22,23)15-6-7-16(27-11-13-4-1-3-12(9-13)10-24)28-17(15)18(29)14-5-2-8-26-19(14)25;;;;;;;;;;;;;;;/h3-12H,2,13-14,27H2,1H3,(H2,28,29)(H,30,31);3-7,10,12-13,15-16,25H,8-9,11,14H2,1-2H3,(H2,24,26);1-9,11,16H,10,12,25H2,(H2,26,27);2,5-8,12-13H,1,3-4,9-11,24H2,(H2,25,26)(H,27,28);15*1H/t;16-;;;;;;;;;;;;;;;;;/m.0................./s1
InChIKeyJSLTZEYMMGPQDN-NNZAUBEYSA-N
MW1703.06 g/mol
LogP18.35
Rot. Bonds27

About [6-[[3-(aminomethyl)cyclohexyl]methylamino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-[[2-(aminomethyl)-2-phenylbutyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-(3-amino-3-phenylpropoxy)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[5-(furan-2-yl)-2-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-4-pyridinyl]methanone;molecular hydrogen

[6-[[3-(aminomethyl)cyclohexyl]methylamino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-[[2-(aminomethyl)-2-phenylbutyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-(3-amino-3-phenylpropoxy)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[5-(furan-2-yl)-2-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-4-pyridinyl]methanone;molecular hydrogen (PubChem CID 159010833) has the molecular formula C87H124F9N19O6 and a molecular weight of 1703.06 g/mol. Its IUPAC name is [6-[[3-(aminomethyl)cyclohexyl]methylamino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-[[2-(aminomethyl)-2-phenylbutyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-(3-amino-3-phenylpropoxy)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[5-(furan-2-yl)-2-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-4-pyridinyl]methanone;molecular hydrogen.

Molecular Properties

Compound Name[6-[[3-(aminomethyl)cyclohexyl]methylamino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-[[2-(aminomethyl)-2-phenylbutyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-(3-amino-3-phenylpropoxy)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[5-(furan-2-yl)-2-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-4-pyridinyl]methanone;molecular hydrogen
PubChem CID159010833
Molecular FormulaC87H124F9N19O6
Molecular Weight1703.06 g/mol
Exact Mass1701.98
IUPAC Name[6-[[3-(aminomethyl)cyclohexyl]methylamino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-[[2-(aminomethyl)-2-phenylbutyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-(3-amino-3-phenylpropoxy)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[5-(furan-2-yl)-2-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-4-pyridinyl]methanone;molecular hydrogen
SMILESCC(C)C[C@H]1CN(c2cc(C(=O)c3cccnc3N)c(-c3ccco3)cn2)CCN1.CCC(CN)(CNc1ccc(C(F)(F)F)c(C(=O)c2cccnc2N)n1)c1ccccc1.NCC1CCCC(CNc2ccc(C(F)(F)F)c(C(=O)c3cccnc3N)n2)C1.Nc1ncccc1C(=O)c1nc(OCCC(N)c2ccccc2)ccc1C(F)(F)F.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C23H24F3N5O.C23H27N5O2.C21H19F3N4O2.C20H24F3N5O.15H2/c1-2-22(13-27,15-7-4-3-5-8-15)14-30-18-11-10-17(23(24,25)26)19(31-18)20(32)16-9-6-12-29-21(16)28;1-15(2)11-16-14-28(9-8-25-16)21-12-18(19(13-27-21)20-6-4-10-30-20)22(29)17-5-3-7-26-23(17)24;22-21(23,24)15-8-9-17(30-12-10-16(25)13-5-2-1-3-6-13)28-18(15)19(29)14-7-4-11-27-20(14)26;21-20(22,23)15-6-7-16(27-11-13-4-1-3-12(9-13)10-24)28-17(15)18(29)14-5-2-8-26-19(14)25;;;;;;;;;;;;;;;/h3-12H,2,13-14,27H2,1H3,(H2,28,29)(H,30,31);3-7,10,12-13,15-16,25H,8-9,11,14H2,1-2H3,(H2,24,26);1-9,11,16H,10,12,25H2,(H2,26,27);2,5-8,12-13H,1,3-4,9-11,24H2,(H2,25,26)(H,27,28);15*1H/t;16-;;;;;;;;;;;;;;;;;/m.0................./s1
InChIKeyJSLTZEYMMGPQDN-NNZAUBEYSA-N
XLogP18.35
TPSA415.24 Ų
H-Bond Donors10
H-Bond Acceptors25
Rotatable Bonds27
Heavy Atoms121
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001703.06
LogP ≤ 518.35
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1025

Analyze [6-[[3-(aminomethyl)cyclohexyl]methylamino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-[[2-(aminomethyl)-2-phenylbutyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-(3-amino-3-phenylpropoxy)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[5-(furan-2-yl)-2-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-4-pyridinyl]methanone;molecular hydrogen with MolForge

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Launch Full Analysis

Related Compounds

(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen
CID 161397351
(2-amino-3-pyridinyl)-[3-(1-fluoroethenyl)-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(2-hydroxyethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-(trifluoromethyl)-6-[(2S)-2,3,3-trimethylbutoxy]-2-pyridinyl]methanone;molecular hydrogen
CID 160760286
[6-[[4-(aminomethyl)cyclohexyl]methylamino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-[(2-amino-2-methyl-3-phenylpropyl)amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;7-[6-(2-aminopyridine-3-carbonyl)-5-(trifluoromethyl)-2-pyridinyl]-1-propan-2-yl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one;(2-amino-3-pyridinyl)-[3-(1-fluoroethenyl)-6-piperazin-1-yl-2-pyridinyl]methanone;molecular hydrogen
CID 159011473
(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanone;molecular hydrogen
CID 162186474
(2-amino-3-pyridinyl)-[3-cyclopropyl-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone;molecular hydrogen
CID 157168458
1-[2-(2-aminopyridine-3-carbonyl)-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-pyridinyl]ethanone;molecular hydrogen
CID 159543887
(2-amino-3-pyridinyl)-[6-(piperidin-3-ylmethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone
CID 67739867
(2-amino-5-chloro-3-pyridinyl)-[6-[(3S,5S)-3-methyl-5-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-(1-fluoroethenyl)-6-[(3S)-3-methylpiperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(2R)-2-methylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen
CID 159468485
[6-[[4-(aminomethyl)cyclohexyl]methylamino]-3-(trifluoromethyl)-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone
CID 158191323
[6-[[(2S)-2-amino-3-methylbutyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;molecular hydrogen
CID 160611907
[6-[(2S)-2-amino-4-methylpentoxy]-3-(difluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-(3-aminopropoxy)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-piperazin-1-yl-3-[(Z)-prop-1-enyl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-piperazin-1-yl-3-[(E)-prop-1-enyl]-2-pyridinyl]methanone;molecular hydrogen
CID 158828685
(2-amino-3-pyridinyl)-[3-(1-fluoroethenyl)-6-[(3S)-3-(3-methylbutyl)piperazin-1-yl]-2-pyridinyl]methanone
CID 130450153

Frequently Asked Questions

What is the IUPAC name of [6-[[3-(aminomethyl)cyclohexyl]methylamino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-[[2-(aminomethyl)-2-phenylbutyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-(3-amino-3-phenylpropoxy)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[5-(furan-2-yl)-2-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-4-pyridinyl]methanone;molecular hydrogen?
The IUPAC name of [6-[[3-(aminomethyl)cyclohexyl]methylamino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-[[2-(aminomethyl)-2-phenylbutyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-(3-amino-3-phenylpropoxy)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[5-(furan-2-yl)-2-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-4-pyridinyl]methanone;molecular hydrogen (CID 159010833) is [6-[[3-(aminomethyl)cyclohexyl]methylamino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-[[2-(aminomethyl)-2-phenylbutyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-(3-amino-3-phenylpropoxy)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[5-(furan-2-yl)-2-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-4-pyridinyl]methanone;molecular hydrogen.
What is the SMILES notation for [6-[[3-(aminomethyl)cyclohexyl]methylamino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-[[2-(aminomethyl)-2-phenylbutyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-(3-amino-3-phenylpropoxy)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[5-(furan-2-yl)-2-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-4-pyridinyl]methanone;molecular hydrogen?
The canonical SMILES for [6-[[3-(aminomethyl)cyclohexyl]methylamino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-[[2-(aminomethyl)-2-phenylbutyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-(3-amino-3-phenylpropoxy)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[5-(furan-2-yl)-2-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-4-pyridinyl]methanone;molecular hydrogen is CC(C)C[C@H]1CN(c2cc(C(=O)c3cccnc3N)c(-c3ccco3)cn2)CCN1.CCC(CN)(CNc1ccc(C(F)(F)F)c(C(=O)c2cccnc2N)n1)c1ccccc1.NCC1CCCC(CNc2ccc(C(F)(F)F)c(C(=O)c3cccnc3N)n2)C1.Nc1ncccc1C(=O)c1nc(OCCC(N)c2ccccc2)ccc1C(F)(F)F.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of [6-[[3-(aminomethyl)cyclohexyl]methylamino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-[[2-(aminomethyl)-2-phenylbutyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-(3-amino-3-phenylpropoxy)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[5-(furan-2-yl)-2-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-4-pyridinyl]methanone;molecular hydrogen?
The InChIKey is JSLTZEYMMGPQDN-NNZAUBEYSA-N. The full InChI is InChI=1S/C23H24F3N5O.C23H27N5O2.C21H19F3N4O2.C20H24F3N5O.15H2/c1-2-22(13-27,15-7-4-3-5-8-15)14-30-18-11-10-17(23(24,25)26)19(31-18)20(32)16-9-6-12-29-21(16)28;1-15(2)11-16-14-28(9-8-25-16)21-12-18(19(13-27-21)20-6-4-10-30-20)22(29)17-5-3-7-26-23(17)24;22-21(23,24)15-8-9-17(30-12-10-16(25)13-5-2-1-3-6-13)28-18(15)19(29)14-7-4-11-27-20(14)26;21-20(22,23)15-6-7-16(27-11-13-4-1-3-12(9-13)10-24)28-17(15)18(29)14-5-2-8-26-19(14)25;;;;;;;;;;;;;;;/h3-12H,2,13-14,27H2,1H3,(H2,28,29)(H,30,31);3-7,10,12-13,15-16,25H,8-9,11,14H2,1-2H3,(H2,24,26);1-9,11,16H,10,12,25H2,(H2,26,27);2,5-8,12-13H,1,3-4,9-11,24H2,(H2,25,26)(H,27,28);15*1H/t;16-;;;;;;;;;;;;;;;;;/m.0................./s1.
What are the key properties of [6-[[3-(aminomethyl)cyclohexyl]methylamino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-[[2-(aminomethyl)-2-phenylbutyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-(3-amino-3-phenylpropoxy)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[5-(furan-2-yl)-2-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-4-pyridinyl]methanone;molecular hydrogen?
[6-[[3-(aminomethyl)cyclohexyl]methylamino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-[[2-(aminomethyl)-2-phenylbutyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-(3-amino-3-phenylpropoxy)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[5-(furan-2-yl)-2-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-4-pyridinyl]methanone;molecular hydrogen has a molecular weight of 1703.06 g/mol, XLogP of 18.35, 27 rotatable bonds, 10 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[[3-(aminomethyl)cyclohexyl]methylamino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-[[2-(aminomethyl)-2-phenylbutyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-(3-amino-3-phenylpropoxy)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[5-(furan-2-yl)-2-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-4-pyridinyl]methanone;molecular hydrogen is sourced from PubChem (CID 159010833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).