1-[5-[(1-cyclohexylpiperidin-4-yl)amino]-2-pyridinyl]-N,N-dimethylindole-5-carboxamide

C27H35N5O — CID 67608158

IUPAC1-[5-[(1-cyclohexylpiperidin-4-yl)amino]-2-pyridinyl]-N,N-dimethylindole-5-carboxamide
SMILESCN(C)C(=O)c1ccc2c(ccn2-c2ccc(NC3CCN(C4CCCCC4)CC3)cn2)c1
InChIInChI=1S/C27H35N5O/c1-30(2)27(33)21-8-10-25-20(18-21)12-17-32(25)26-11-9-23(19-28-26)29-22-13-15-31(16-14-22)24-6-4-3-5-7-24/h8-12,17-19,22,24,29H,3-7,13-16H2,1-2H3
InChIKeyIMKKFLYKWTWGDK-UHFFFAOYSA-N
MW445.61 g/mol
LogP4.94
Rot. Bonds5

About 1-[5-[(1-cyclohexylpiperidin-4-yl)amino]-2-pyridinyl]-N,N-dimethylindole-5-carboxamide

1-[5-[(1-cyclohexylpiperidin-4-yl)amino]-2-pyridinyl]-N,N-dimethylindole-5-carboxamide (PubChem CID 67608158) has the molecular formula C27H35N5O and a molecular weight of 445.61 g/mol. Its IUPAC name is 1-[5-[(1-cyclohexylpiperidin-4-yl)amino]-2-pyridinyl]-N,N-dimethylindole-5-carboxamide.

Molecular Properties

Compound Name1-[5-[(1-cyclohexylpiperidin-4-yl)amino]-2-pyridinyl]-N,N-dimethylindole-5-carboxamide
PubChem CID67608158
Molecular FormulaC27H35N5O
Molecular Weight445.61 g/mol
Exact Mass445.28
IUPAC Name1-[5-[(1-cyclohexylpiperidin-4-yl)amino]-2-pyridinyl]-N,N-dimethylindole-5-carboxamide
SMILESCN(C)C(=O)c1ccc2c(ccn2-c2ccc(NC3CCN(C4CCCCC4)CC3)cn2)c1
InChIInChI=1S/C27H35N5O/c1-30(2)27(33)21-8-10-25-20(18-21)12-17-32(25)26-11-9-23(19-28-26)29-22-13-15-31(16-14-22)24-6-4-3-5-7-24/h8-12,17-19,22,24,29H,3-7,13-16H2,1-2H3
InChIKeyIMKKFLYKWTWGDK-UHFFFAOYSA-N
XLogP4.94
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.61
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[5-[(1-cyclohexylpiperidin-4-yl)amino]-2-pyridinyl]-N,N-dimethylindole-5-carboxamide with MolForge

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Related Compounds

N,N-dimethyl-1-[5-[[1-[1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethyl]piperidin-4-yl]amino]-2-pyridinyl]indole-5-carboxamide
CID 67616745
1-[5-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]oxy-2-pyridinyl]-N,N-dimethylindole-5-carboxamide
CID 67609554
tert-butyl 4-[[6-(5-methylsulfonylindol-1-yl)-3-pyridinyl]amino]piperidine-1-carboxylate
CID 86696183
tert-butyl 4-[[6-[5-(dimethylcarbamoyl)indol-1-yl]-3-pyridinyl]oxymethyl]piperidine-1-carboxylate
CID 67807780
3-(cyclohexylamino)-N,N-dimethylbenzamide
CID 43725453
(4-cyclobutylpiperazin-1-yl)-[1-(2-methoxypyrimidin-5-yl)indol-5-yl]methanone
CID 141186265
N-cyclohexyl-6-piperidin-1-ylpyridin-3-amine
CID 43690330
5-(4-tert-butylphenyl)-1-[5-(cyclopentylamino)-2-pyridinyl]indole-2-carboxylic acid
CID 68698795
4-[(1-cyclopentylpiperidin-4-yl)amino]pyridine-2-carboxamide
CID 154797079
6-[2-(hydroxymethyl)azepan-1-yl]-N,N-dimethylpyridine-3-carboxamide
CID 116637062
N-(1-cyclooctylpiperidin-4-yl)pyridin-3-amine
CID 141369101
N,N-dimethyl-4-(thian-4-ylamino)benzamide
CID 43682033

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(1-cyclohexylpiperidin-4-yl)amino]-2-pyridinyl]-N,N-dimethylindole-5-carboxamide?
The IUPAC name of 1-[5-[(1-cyclohexylpiperidin-4-yl)amino]-2-pyridinyl]-N,N-dimethylindole-5-carboxamide (CID 67608158) is 1-[5-[(1-cyclohexylpiperidin-4-yl)amino]-2-pyridinyl]-N,N-dimethylindole-5-carboxamide.
What is the SMILES notation for 1-[5-[(1-cyclohexylpiperidin-4-yl)amino]-2-pyridinyl]-N,N-dimethylindole-5-carboxamide?
The canonical SMILES for 1-[5-[(1-cyclohexylpiperidin-4-yl)amino]-2-pyridinyl]-N,N-dimethylindole-5-carboxamide is CN(C)C(=O)c1ccc2c(ccn2-c2ccc(NC3CCN(C4CCCCC4)CC3)cn2)c1.
What is the InChIKey of 1-[5-[(1-cyclohexylpiperidin-4-yl)amino]-2-pyridinyl]-N,N-dimethylindole-5-carboxamide?
The InChIKey is IMKKFLYKWTWGDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N5O/c1-30(2)27(33)21-8-10-25-20(18-21)12-17-32(25)26-11-9-23(19-28-26)29-22-13-15-31(16-14-22)24-6-4-3-5-7-24/h8-12,17-19,22,24,29H,3-7,13-16H2,1-2H3.
What are the key properties of 1-[5-[(1-cyclohexylpiperidin-4-yl)amino]-2-pyridinyl]-N,N-dimethylindole-5-carboxamide?
1-[5-[(1-cyclohexylpiperidin-4-yl)amino]-2-pyridinyl]-N,N-dimethylindole-5-carboxamide has a molecular weight of 445.61 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(1-cyclohexylpiperidin-4-yl)amino]-2-pyridinyl]-N,N-dimethylindole-5-carboxamide is sourced from PubChem (CID 67608158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).