ethyl 6-(1H-indole-3-carbonyl)pyridine-2-carboxylate;6-(1H-indole-3-carbonyl)-N,N-dimethylpyridine-2-carboxamide;1-[6-(1H-indole-3-carbonyl)-2-pyridinyl]ethanone;1H-indol-3-yl-(6-methoxy-2-pyridinyl)methanone;1H-indol-3-yl(pyridin-2-yl)methanone;methyl 6-(1H-indole-3-carbonyl)pyridine-2-carboxylate

C95H75N13O13 — CID 158073500

IUPACethyl 6-(1H-indole-3-carbonyl)pyridine-2-carboxylate;6-(1H-indole-3-carbonyl)-N,N-dimethylpyridine-2-carboxamide;1-[6-(1H-indole-3-carbonyl)-2-pyridinyl]ethanone;1H-indol-3-yl-(6-methoxy-2-pyridinyl)methanone;1H-indol-3-yl(pyridin-2-yl)methanone;methyl 6-(1H-indole-3-carbonyl)pyridine-2-carboxylate
SMILESCC(=O)c1cccc(C(=O)c2c[nH]c3ccccc23)n1.CCOC(=O)c1cccc(C(=O)c2c[nH]c3ccccc23)n1.CN(C)C(=O)c1cccc(C(=O)c2c[nH]c3ccccc23)n1.COC(=O)c1cccc(C(=O)c2c[nH]c3ccccc23)n1.COc1cccc(C(=O)c2c[nH]c3ccccc23)n1.O=C(c1ccccn1)c1c[nH]c2ccccc12
InChIInChI=1S/C17H15N3O2.C17H14N2O3.C16H12N2O3.C16H12N2O2.C15H12N2O2.C14H10N2O/c1-20(2)17(22)15-9-5-8-14(19-15)16(21)12-10-18-13-7-4-3-6-11(12)13;1-2-22-17(21)15-9-5-8-14(19-15)16(20)12-10-18-13-7-4-3-6-11(12)13;1-21-16(20)14-8-4-7-13(18-14)15(19)11-9-17-12-6-3-2-5-10(11)12;1-10(19)13-7-4-8-15(18-13)16(20)12-9-17-14-6-3-2-5-11(12)14;1-19-14-8-4-7-13(17-14)15(18)11-9-16-12-6-3-2-5-10(11)12;17-14(13-7-3-4-8-15-13)11-9-16-12-6-2-1-5-10(11)12/h3-10,18H,1-2H3;3-10,18H,2H2,1H3;2-9,17H,1H3;2-9,17H,1H3;2-9,16H,1H3;1-9,16H
InChIKeyFMCBJEHSJYUFAS-UHFFFAOYSA-N
MW1606.72 g/mol
LogP16.64
Rot. Bonds18

About ethyl 6-(1H-indole-3-carbonyl)pyridine-2-carboxylate;6-(1H-indole-3-carbonyl)-N,N-dimethylpyridine-2-carboxamide;1-[6-(1H-indole-3-carbonyl)-2-pyridinyl]ethanone;1H-indol-3-yl-(6-methoxy-2-pyridinyl)methanone;1H-indol-3-yl(pyridin-2-yl)methanone;methyl 6-(1H-indole-3-carbonyl)pyridine-2-carboxylate

ethyl 6-(1H-indole-3-carbonyl)pyridine-2-carboxylate;6-(1H-indole-3-carbonyl)-N,N-dimethylpyridine-2-carboxamide;1-[6-(1H-indole-3-carbonyl)-2-pyridinyl]ethanone;1H-indol-3-yl-(6-methoxy-2-pyridinyl)methanone;1H-indol-3-yl(pyridin-2-yl)methanone;methyl 6-(1H-indole-3-carbonyl)pyridine-2-carboxylate (PubChem CID 158073500) has the molecular formula C95H75N13O13 and a molecular weight of 1606.72 g/mol. Its IUPAC name is ethyl 6-(1H-indole-3-carbonyl)pyridine-2-carboxylate;6-(1H-indole-3-carbonyl)-N,N-dimethylpyridine-2-carboxamide;1-[6-(1H-indole-3-carbonyl)-2-pyridinyl]ethanone;1H-indol-3-yl-(6-methoxy-2-pyridinyl)methanone;1H-indol-3-yl(pyridin-2-yl)methanone;methyl 6-(1H-indole-3-carbonyl)pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-(1H-indole-3-carbonyl)pyridine-2-carboxylate;6-(1H-indole-3-carbonyl)-N,N-dimethylpyridine-2-carboxamide;1-[6-(1H-indole-3-carbonyl)-2-pyridinyl]ethanone;1H-indol-3-yl-(6-methoxy-2-pyridinyl)methanone;1H-indol-3-yl(pyridin-2-yl)methanone;methyl 6-(1H-indole-3-carbonyl)pyridine-2-carboxylate
PubChem CID158073500
Molecular FormulaC95H75N13O13
Molecular Weight1606.72 g/mol
Exact Mass1605.56
IUPAC Nameethyl 6-(1H-indole-3-carbonyl)pyridine-2-carboxylate;6-(1H-indole-3-carbonyl)-N,N-dimethylpyridine-2-carboxamide;1-[6-(1H-indole-3-carbonyl)-2-pyridinyl]ethanone;1H-indol-3-yl-(6-methoxy-2-pyridinyl)methanone;1H-indol-3-yl(pyridin-2-yl)methanone;methyl 6-(1H-indole-3-carbonyl)pyridine-2-carboxylate
SMILESCC(=O)c1cccc(C(=O)c2c[nH]c3ccccc23)n1.CCOC(=O)c1cccc(C(=O)c2c[nH]c3ccccc23)n1.CN(C)C(=O)c1cccc(C(=O)c2c[nH]c3ccccc23)n1.COC(=O)c1cccc(C(=O)c2c[nH]c3ccccc23)n1.COc1cccc(C(=O)c2c[nH]c3ccccc23)n1.O=C(c1ccccn1)c1c[nH]c2ccccc12
InChIInChI=1S/C17H15N3O2.C17H14N2O3.C16H12N2O3.C16H12N2O2.C15H12N2O2.C14H10N2O/c1-20(2)17(22)15-9-5-8-14(19-15)16(21)12-10-18-13-7-4-3-6-11(12)13;1-2-22-17(21)15-9-5-8-14(19-15)16(20)12-10-18-13-7-4-3-6-11(12)13;1-21-16(20)14-8-4-7-13(18-14)15(19)11-9-17-12-6-3-2-5-10(11)12;1-10(19)13-7-4-8-15(18-13)16(20)12-9-17-14-6-3-2-5-11(12)14;1-19-14-8-4-7-13(17-14)15(18)11-9-16-12-6-3-2-5-10(11)12;17-14(13-7-3-4-8-15-13)11-9-16-12-6-2-1-5-10(11)12/h3-10,18H,1-2H3;3-10,18H,2H2,1H3;2-9,17H,1H3;2-9,17H,1H3;2-9,16H,1H3;1-9,16H
InChIKeyFMCBJEHSJYUFAS-UHFFFAOYSA-N
XLogP16.64
TPSA373.71 Ų
H-Bond Donors6
H-Bond Acceptors19
Rotatable Bonds18
Heavy Atoms121
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001606.72
LogP ≤ 516.64
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1019

Analyze ethyl 6-(1H-indole-3-carbonyl)pyridine-2-carboxylate;6-(1H-indole-3-carbonyl)-N,N-dimethylpyridine-2-carboxamide;1-[6-(1H-indole-3-carbonyl)-2-pyridinyl]ethanone;1H-indol-3-yl-(6-methoxy-2-pyridinyl)methanone;1H-indol-3-yl(pyridin-2-yl)methanone;methyl 6-(1H-indole-3-carbonyl)pyridine-2-carboxylate with MolForge

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Related Compounds

ethane;(1R,3S)-1-[5-(1H-indol-3-yl)-4-methyl-1,3-oxazol-2-yl]-N,3-dimethylpentan-1-amine;(1R,3S)-1-[5-(1H-indol-3-yl)-4-methyl-1,3-oxazol-2-yl]-3-methylpentan-1-amine;[(1R,3S)-1-[5-(1H-indol-3-yl)-4-methyl-1,3-oxazol-2-yl]-3-methylpentyl]-dimethylazanium;(1R,3S)-1-[5-(1H-indol-3-yl)-4-methyl-1,3-oxazol-2-yl]-N,N,3-trimethylpentan-1-amine;(2R)-1-(1H-indol-3-yl)propan-2-amine;(2R,4S)-N-[1-(1H-indol-3-yl)propan-2-yl]-4-methyl-2-(methylamino)hexanamide;methane;(2R,4S)-4-methyl-2-(methylamino)hexanoic acid;2,2,2-trifluoroacetic acid
CID 157172983
ethane;(1S,3R)-1-[5-(1H-indol-3-yl)-4-methyl-1,3-oxazol-2-yl]-N,3-dimethylpentan-1-amine;(1S,3R)-1-[5-(1H-indol-3-yl)-4-methyl-1,3-oxazol-2-yl]-3-methylpentan-1-amine;[(1S,3R)-1-[5-(1H-indol-3-yl)-4-methyl-1,3-oxazol-2-yl]-3-methylpentyl]-dimethylazanium;(1S,3R)-1-[5-(1H-indol-3-yl)-4-methyl-1,3-oxazol-2-yl]-N,N,3-trimethylpentan-1-amine;(2R)-1-(1H-indol-3-yl)propan-2-amine;(2S,4R)-N-[1-(1H-indol-3-yl)propan-2-yl]-4-methyl-2-(methylamino)hexanamide;methane;(2S,4R)-4-methyl-2-(methylamino)hexanoic acid;2,2,2-trifluoroacetic acid
CID 157172984
1-benzofuran-2-yl-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone;[5-(1,1-difluoroethyl)furan-2-yl]-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone;(3,5-dimethylfuran-2-yl)-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone;(5-ethylfuran-2-yl)-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone;5-[1-(1H-indol-3-yl)ethenyl]-2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;(5-methylfuran-2-yl)-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone;1,3-oxazol-2-yl-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone;1,3-oxazol-5-yl-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone
CID 158064950
2-[1-[(E)-3-[4-(1,1-difluoroethoxy)phenyl]prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(2,3-dihydro-1H-inden-5-yl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;ethyl 3-[2-[4-[2-amino-1-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-oxoethyl]piperidin-1-yl]-2-oxoethyl]benzoate;2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]acetamide;2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-[1-[(E)-3-(4-methylphenyl)prop-2-enoyl]piperidin-4-yl]acetamide
CID 161166338
2-[1-[2-[3-(1,1-difluoroethyl)phenyl]acetyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;ethyl 4-[2-[4-[2-amino-1-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-oxoethyl]piperidin-1-yl]-2-oxoethyl]benzoate;2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-[1-[2-(4-methylphenyl)acetyl]piperidin-4-yl]acetamide;methyl 2-[1-[(E)-3-(3-fluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetate
CID 161787789
carbanide;(1R,3R)-1-[5-(1H-indol-3-yl)-4-methyl-1,3-oxazol-2-yl]-N,3-dimethylpentan-1-amine;(1R,3R)-1-[5-(1H-indol-3-yl)-4-methyl-1,3-oxazol-2-yl]-3-methylpentan-1-amine;[(1R,3R)-1-[5-(1H-indol-3-yl)-4-methyl-1,3-oxazol-2-yl]-3-methylpentyl]-dimethylazanium;(1R,3R)-1-[5-(1H-indol-3-yl)-4-methyl-1,3-oxazol-2-yl]-N,N,3-trimethylpentan-1-amine;(2R)-1-(1H-indol-3-yl)propan-2-amine;(2R,4R)-N-[1-(1H-indol-3-yl)propan-2-yl]-4-methyl-2-(methylamino)hexanamide;(2R,4R)-4-methyl-2-(methylamino)hexanoic acid;molecular hydrogen;tris(palladium);2,2,2-trifluoroacetic acid
CID 161794775
[4-cyclohexyl-2,2-di(propan-2-yl)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[2,2-di(propan-2-yl)-4-pyridin-3-ylpyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[2,2-di(propan-2-yl)-4-pyridin-4-ylpyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[2,2-di(propan-2-yl)-4-(trifluoromethoxy)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;(4-methoxy-1H-indol-2-yl)-[4-[(2-methylpropan-2-yl)oxy]-2,2-di(propan-2-yl)pyrrolidin-1-yl]methanone;(4-methoxy-1H-indol-2-yl)-[4-phenyl-2,2-di(propan-2-yl)pyrrolidin-1-yl]methanone
CID 163545827
[4-cyclohexyl-2,2-di(propan-2-yl)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[2,2-di(propan-2-yl)-4-pyridin-3-ylpyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[2,2-di(propan-2-yl)-4-pyridin-4-ylpyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[2,2-di(propan-2-yl)-4-(trifluoromethoxy)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;(4-methoxy-1H-indol-2-yl)-[4-[(2-methylpropan-2-yl)oxy]-2,2-di(propan-2-yl)pyrrolidin-1-yl]methanone
CID 167644660
Bis(2,2'-bipyridine-kappa^2^N,N')bis(1H-indole-2-carboxylato-kappa^2^O,O')cadmium-2,2'-bipyridine-water (1/0.5/2)
CID 139081495
(4R)-3,4-bis(1H-indol-3-ylmethyl)-4-[2-(1H-indol-3-yl)-2-oxoethyl]-1-[2-(4-phenylmethoxyphenyl)ethyl]piperazin-4-ium-2-one
CID 88209092
benzyl 2-[[(2S,3S)-2,3-dimethylpentanoyl]amino]-3-(1H-indol-3-yl)propanoate;4-(benzylperoxymethyl)-5-(1H-indol-3-yl)-2-[(2S,3S)-3-methylpentan-2-yl]-1,3-oxazole;(2S)-1-[4-(benzylperoxymethyl)-5-(1H-indol-3-yl)-1,3-oxazol-2-yl]-2-methylbutan-1-amine;(2S)-1-[4-(benzylperoxymethyl)-5-(1H-indol-3-yl)-1,3-oxazol-2-yl]-N,N,2-trimethylbutan-1-amine;(2S,3S)-1-hydroperoxy-2,3-dimethylpentane;(3S)-1-hydroperoxy-3-methylpentan-2-amine
CID 91209725
1-cyclopentyl-4-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one;4-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one;[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-(1,3-oxazol-4-yl)methanone
CID 157257682

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(1H-indole-3-carbonyl)pyridine-2-carboxylate;6-(1H-indole-3-carbonyl)-N,N-dimethylpyridine-2-carboxamide;1-[6-(1H-indole-3-carbonyl)-2-pyridinyl]ethanone;1H-indol-3-yl-(6-methoxy-2-pyridinyl)methanone;1H-indol-3-yl(pyridin-2-yl)methanone;methyl 6-(1H-indole-3-carbonyl)pyridine-2-carboxylate?
The IUPAC name of ethyl 6-(1H-indole-3-carbonyl)pyridine-2-carboxylate;6-(1H-indole-3-carbonyl)-N,N-dimethylpyridine-2-carboxamide;1-[6-(1H-indole-3-carbonyl)-2-pyridinyl]ethanone;1H-indol-3-yl-(6-methoxy-2-pyridinyl)methanone;1H-indol-3-yl(pyridin-2-yl)methanone;methyl 6-(1H-indole-3-carbonyl)pyridine-2-carboxylate (CID 158073500) is ethyl 6-(1H-indole-3-carbonyl)pyridine-2-carboxylate;6-(1H-indole-3-carbonyl)-N,N-dimethylpyridine-2-carboxamide;1-[6-(1H-indole-3-carbonyl)-2-pyridinyl]ethanone;1H-indol-3-yl-(6-methoxy-2-pyridinyl)methanone;1H-indol-3-yl(pyridin-2-yl)methanone;methyl 6-(1H-indole-3-carbonyl)pyridine-2-carboxylate.
What is the SMILES notation for ethyl 6-(1H-indole-3-carbonyl)pyridine-2-carboxylate;6-(1H-indole-3-carbonyl)-N,N-dimethylpyridine-2-carboxamide;1-[6-(1H-indole-3-carbonyl)-2-pyridinyl]ethanone;1H-indol-3-yl-(6-methoxy-2-pyridinyl)methanone;1H-indol-3-yl(pyridin-2-yl)methanone;methyl 6-(1H-indole-3-carbonyl)pyridine-2-carboxylate?
The canonical SMILES for ethyl 6-(1H-indole-3-carbonyl)pyridine-2-carboxylate;6-(1H-indole-3-carbonyl)-N,N-dimethylpyridine-2-carboxamide;1-[6-(1H-indole-3-carbonyl)-2-pyridinyl]ethanone;1H-indol-3-yl-(6-methoxy-2-pyridinyl)methanone;1H-indol-3-yl(pyridin-2-yl)methanone;methyl 6-(1H-indole-3-carbonyl)pyridine-2-carboxylate is CC(=O)c1cccc(C(=O)c2c[nH]c3ccccc23)n1.CCOC(=O)c1cccc(C(=O)c2c[nH]c3ccccc23)n1.CN(C)C(=O)c1cccc(C(=O)c2c[nH]c3ccccc23)n1.COC(=O)c1cccc(C(=O)c2c[nH]c3ccccc23)n1.COc1cccc(C(=O)c2c[nH]c3ccccc23)n1.O=C(c1ccccn1)c1c[nH]c2ccccc12.
What is the InChIKey of ethyl 6-(1H-indole-3-carbonyl)pyridine-2-carboxylate;6-(1H-indole-3-carbonyl)-N,N-dimethylpyridine-2-carboxamide;1-[6-(1H-indole-3-carbonyl)-2-pyridinyl]ethanone;1H-indol-3-yl-(6-methoxy-2-pyridinyl)methanone;1H-indol-3-yl(pyridin-2-yl)methanone;methyl 6-(1H-indole-3-carbonyl)pyridine-2-carboxylate?
The InChIKey is FMCBJEHSJYUFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2.C17H14N2O3.C16H12N2O3.C16H12N2O2.C15H12N2O2.C14H10N2O/c1-20(2)17(22)15-9-5-8-14(19-15)16(21)12-10-18-13-7-4-3-6-11(12)13;1-2-22-17(21)15-9-5-8-14(19-15)16(20)12-10-18-13-7-4-3-6-11(12)13;1-21-16(20)14-8-4-7-13(18-14)15(19)11-9-17-12-6-3-2-5-10(11)12;1-10(19)13-7-4-8-15(18-13)16(20)12-9-17-14-6-3-2-5-11(12)14;1-19-14-8-4-7-13(17-14)15(18)11-9-16-12-6-3-2-5-10(11)12;17-14(13-7-3-4-8-15-13)11-9-16-12-6-2-1-5-10(11)12/h3-10,18H,1-2H3;3-10,18H,2H2,1H3;2-9,17H,1H3;2-9,17H,1H3;2-9,16H,1H3;1-9,16H.
What are the key properties of ethyl 6-(1H-indole-3-carbonyl)pyridine-2-carboxylate;6-(1H-indole-3-carbonyl)-N,N-dimethylpyridine-2-carboxamide;1-[6-(1H-indole-3-carbonyl)-2-pyridinyl]ethanone;1H-indol-3-yl-(6-methoxy-2-pyridinyl)methanone;1H-indol-3-yl(pyridin-2-yl)methanone;methyl 6-(1H-indole-3-carbonyl)pyridine-2-carboxylate?
ethyl 6-(1H-indole-3-carbonyl)pyridine-2-carboxylate;6-(1H-indole-3-carbonyl)-N,N-dimethylpyridine-2-carboxamide;1-[6-(1H-indole-3-carbonyl)-2-pyridinyl]ethanone;1H-indol-3-yl-(6-methoxy-2-pyridinyl)methanone;1H-indol-3-yl(pyridin-2-yl)methanone;methyl 6-(1H-indole-3-carbonyl)pyridine-2-carboxylate has a molecular weight of 1606.72 g/mol, XLogP of 16.64, 18 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(1H-indole-3-carbonyl)pyridine-2-carboxylate;6-(1H-indole-3-carbonyl)-N,N-dimethylpyridine-2-carboxamide;1-[6-(1H-indole-3-carbonyl)-2-pyridinyl]ethanone;1H-indol-3-yl-(6-methoxy-2-pyridinyl)methanone;1H-indol-3-yl(pyridin-2-yl)methanone;methyl 6-(1H-indole-3-carbonyl)pyridine-2-carboxylate is sourced from PubChem (CID 158073500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).