bis(N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-methyl-1H-indol-5-yl)methyl]pyridine-4-carboxamide);5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(3-methyl-1H-indol-5-yl)methyl]pyridine-4-carboxylic acid

C72H77N15O4 — CID 157339408

IUPACbis(N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-methyl-1H-indol-5-yl)methyl]pyridine-4-carboxamide);5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(3-methyl-1H-indol-5-yl)methyl]pyridine-4-carboxylic acid
SMILESCc1c[nH]c2ccc(Cc3cc(C(=O)O)ccn3)cc12.Cc1cc(N)nc(C)c1CN.Cc1cc(N)nc(C)c1CNC(=O)c1ccnc(Cc2ccc3[nH]cc(C)c3c2)c1.Cc1cc(N)nc(C)c1CNC(=O)c1ccnc(Cc2ccc3[nH]cc(C)c3c2)c1
InChIInChI=1S/2C24H25N5O.C16H14N2O2.C8H13N3/c2*1-14-8-23(25)29-16(3)21(14)13-28-24(30)18-6-7-26-19(11-18)9-17-4-5-22-20(10-17)15(2)12-27-22;1-10-9-18-15-3-2-11(7-14(10)15)6-13-8-12(16(19)20)4-5-17-13;1-5-3-8(10)11-6(2)7(5)4-9/h2*4-8,10-12,27H,9,13H2,1-3H3,(H2,25,29)(H,28,30);2-5,7-9,18H,6H2,1H3,(H,19,20);3H,4,9H2,1-2H3,(H2,10,11)
InChIKeyBGFKWCLHBMXCAH-UHFFFAOYSA-N
MW1216.51 g/mol
LogP11.87
Rot. Bonds14

About bis(N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-methyl-1H-indol-5-yl)methyl]pyridine-4-carboxamide);5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(3-methyl-1H-indol-5-yl)methyl]pyridine-4-carboxylic acid

bis(N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-methyl-1H-indol-5-yl)methyl]pyridine-4-carboxamide);5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(3-methyl-1H-indol-5-yl)methyl]pyridine-4-carboxylic acid (PubChem CID 157339408) has the molecular formula C72H77N15O4 and a molecular weight of 1216.51 g/mol. Its IUPAC name is bis(N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-methyl-1H-indol-5-yl)methyl]pyridine-4-carboxamide);5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(3-methyl-1H-indol-5-yl)methyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Namebis(N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-methyl-1H-indol-5-yl)methyl]pyridine-4-carboxamide);5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(3-methyl-1H-indol-5-yl)methyl]pyridine-4-carboxylic acid
PubChem CID157339408
Molecular FormulaC72H77N15O4
Molecular Weight1216.51 g/mol
Exact Mass1215.63
IUPAC Namebis(N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-methyl-1H-indol-5-yl)methyl]pyridine-4-carboxamide);5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(3-methyl-1H-indol-5-yl)methyl]pyridine-4-carboxylic acid
SMILESCc1c[nH]c2ccc(Cc3cc(C(=O)O)ccn3)cc12.Cc1cc(N)nc(C)c1CN.Cc1cc(N)nc(C)c1CNC(=O)c1ccnc(Cc2ccc3[nH]cc(C)c3c2)c1.Cc1cc(N)nc(C)c1CNC(=O)c1ccnc(Cc2ccc3[nH]cc(C)c3c2)c1
InChIInChI=1S/2C24H25N5O.C16H14N2O2.C8H13N3/c2*1-14-8-23(25)29-16(3)21(14)13-28-24(30)18-6-7-26-19(11-18)9-17-4-5-22-20(10-17)15(2)12-27-22;1-10-9-18-15-3-2-11(7-14(10)15)6-13-8-12(16(19)20)4-5-17-13;1-5-3-8(10)11-6(2)7(5)4-9/h2*4-8,10-12,27H,9,13H2,1-3H3,(H2,25,29)(H,28,30);2-5,7-9,18H,6H2,1H3,(H,19,20);3H,4,9H2,1-2H3,(H2,10,11)
InChIKeyBGFKWCLHBMXCAH-UHFFFAOYSA-N
XLogP11.87
TPSA324.29 Ų
H-Bond Donors10
H-Bond Acceptors13
Rotatable Bonds14
Heavy Atoms91
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001216.51
LogP ≤ 511.87
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1013

Analyze bis(N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-methyl-1H-indol-5-yl)methyl]pyridine-4-carboxamide);5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(3-methyl-1H-indol-5-yl)methyl]pyridine-4-carboxylic acid with MolForge

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Related Compounds

US10023557, Example 84
CID 118665404
5-(4-benzylpiperidine-1-carbonyl)-1H-indole-3-carboxylic acid;1-[5-(4-benzylpiperidine-1-carbonyl)-1H-indol-3-yl]-2,2,2-trifluoroethanone;5-(4-benzylpiperidine-1-carbonyl)-N-methylidene-1H-indole-3-carboxamide;(4-benzylpiperidin-1-yl)-(1H-indol-5-yl)methanone
CID 91147509
3-(aminomethyl)-6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one;1-(6-amino-3-pyridinyl)-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methylindolizine-7-carboxylic acid;1-(6-amino-3-pyridinyl)-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-N-[[6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]methyl]indolizine-7-carboxamide;hydrochloride
CID 157245152
5-(4-benzylpiperidine-1-carbonyl)-1H-indole-3-carboxylic acid;1-[5-(4-benzylpiperidine-1-carbonyl)-1H-indol-3-yl]ethanone;1-[5-(4-benzylpiperidine-1-carbonyl)-1H-indol-3-yl]-2,2,2-trifluoroethanone;(4-benzylpiperidin-1-yl)-(1H-indol-5-yl)methanone
CID 157792691
5-(aminomethyl)-6-methyl-4-(trifluoromethyl)pyridin-2-amine;N-[[6-amino-2-methyl-4-(trifluoromethyl)-3-pyridinyl]methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide;2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylic acid;deuterio(fluoro)methane
CID 158440791
5-(aminomethyl)-6-methyl-4-(trifluoromethyl)pyridin-2-amine;N-[[6-amino-2-methyl-4-(trifluoromethyl)-3-pyridinyl]methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide;2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylic acid;deuterio(fluoro)methane;methane
CID 159581838
1-[4-(Azetidin-3-yl)piperazin-1-yl]-2,2,2-trifluoroethanone;1-[4-[1-[1-(5-methyl-2-pyridinyl)indole-5-carbonyl]azetidin-3-yl]piperazin-1-yl]ethanone;1-(5-methyl-2-pyridinyl)indole-5-carboxylic acid
CID 160617145
4-(2-((5-(4-Carboxyphenyl)-3-(9-ethyl-9h-carbazol-3-yl)-1h-pyrrol-2-yl)imino)-3-(9-ethyl-9h-carbazol-3-yl)-2h-pyrrol-5-yl)benzoic acid
CID 167530639
2-[4-[[2,3-dimethyl-5-[[(1S)-1-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid
CID 71109443
2-[4-[[5-[[(1S)-1-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid
CID 71109561
2-[4-[[2,3-Dimethyl-5-[1-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)ethylcarbamoyl]indol-1-yl]methyl]phenyl]benzoic acid
CID 78011188
2-[4-[[5-[1-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)ethylcarbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid
CID 78011226

Frequently Asked Questions

What is the IUPAC name of bis(N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-methyl-1H-indol-5-yl)methyl]pyridine-4-carboxamide);5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(3-methyl-1H-indol-5-yl)methyl]pyridine-4-carboxylic acid?
The IUPAC name of bis(N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-methyl-1H-indol-5-yl)methyl]pyridine-4-carboxamide);5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(3-methyl-1H-indol-5-yl)methyl]pyridine-4-carboxylic acid (CID 157339408) is bis(N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-methyl-1H-indol-5-yl)methyl]pyridine-4-carboxamide);5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(3-methyl-1H-indol-5-yl)methyl]pyridine-4-carboxylic acid.
What is the SMILES notation for bis(N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-methyl-1H-indol-5-yl)methyl]pyridine-4-carboxamide);5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(3-methyl-1H-indol-5-yl)methyl]pyridine-4-carboxylic acid?
The canonical SMILES for bis(N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-methyl-1H-indol-5-yl)methyl]pyridine-4-carboxamide);5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(3-methyl-1H-indol-5-yl)methyl]pyridine-4-carboxylic acid is Cc1c[nH]c2ccc(Cc3cc(C(=O)O)ccn3)cc12.Cc1cc(N)nc(C)c1CN.Cc1cc(N)nc(C)c1CNC(=O)c1ccnc(Cc2ccc3[nH]cc(C)c3c2)c1.Cc1cc(N)nc(C)c1CNC(=O)c1ccnc(Cc2ccc3[nH]cc(C)c3c2)c1.
What is the InChIKey of bis(N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-methyl-1H-indol-5-yl)methyl]pyridine-4-carboxamide);5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(3-methyl-1H-indol-5-yl)methyl]pyridine-4-carboxylic acid?
The InChIKey is BGFKWCLHBMXCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H25N5O.C16H14N2O2.C8H13N3/c2*1-14-8-23(25)29-16(3)21(14)13-28-24(30)18-6-7-26-19(11-18)9-17-4-5-22-20(10-17)15(2)12-27-22;1-10-9-18-15-3-2-11(7-14(10)15)6-13-8-12(16(19)20)4-5-17-13;1-5-3-8(10)11-6(2)7(5)4-9/h2*4-8,10-12,27H,9,13H2,1-3H3,(H2,25,29)(H,28,30);2-5,7-9,18H,6H2,1H3,(H,19,20);3H,4,9H2,1-2H3,(H2,10,11).
What are the key properties of bis(N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-methyl-1H-indol-5-yl)methyl]pyridine-4-carboxamide);5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(3-methyl-1H-indol-5-yl)methyl]pyridine-4-carboxylic acid?
bis(N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-methyl-1H-indol-5-yl)methyl]pyridine-4-carboxamide);5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(3-methyl-1H-indol-5-yl)methyl]pyridine-4-carboxylic acid has a molecular weight of 1216.51 g/mol, XLogP of 11.87, 14 rotatable bonds, 10 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-methyl-1H-indol-5-yl)methyl]pyridine-4-carboxamide);5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(3-methyl-1H-indol-5-yl)methyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 157339408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).