N-[3-[[4-(cyclohexylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-methylpyridine-2-carboxamide

C26H34N4O2 — CID 72703637

IUPACN-[3-[[4-(cyclohexylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-methylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)Nc2cccc(CN3CCC(C(=O)NC4CCCCC4)CC3)c2)n1
InChIInChI=1S/C26H34N4O2/c1-19-7-5-12-24(27-19)26(32)29-23-11-6-8-20(17-23)18-30-15-13-21(14-16-30)25(31)28-22-9-3-2-4-10-22/h5-8,11-12,17,21-22H,2-4,9-10,13-16,18H2,1H3,(H,28,31)(H,29,32)
InChIKeyVTQZEHBHCKIDDI-UHFFFAOYSA-N
MW434.58 g/mol
LogP4.30
Rot. Bonds6

About N-[3-[[4-(cyclohexylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-methylpyridine-2-carboxamide

N-[3-[[4-(cyclohexylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-methylpyridine-2-carboxamide (PubChem CID 72703637) has the molecular formula C26H34N4O2 and a molecular weight of 434.58 g/mol. Its IUPAC name is N-[3-[[4-(cyclohexylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[4-(cyclohexylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-methylpyridine-2-carboxamide
PubChem CID72703637
Molecular FormulaC26H34N4O2
Molecular Weight434.58 g/mol
Exact Mass434.27
IUPAC NameN-[3-[[4-(cyclohexylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-methylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)Nc2cccc(CN3CCC(C(=O)NC4CCCCC4)CC3)c2)n1
InChIInChI=1S/C26H34N4O2/c1-19-7-5-12-24(27-19)26(32)29-23-11-6-8-20(17-23)18-30-15-13-21(14-16-30)25(31)28-22-9-3-2-4-10-22/h5-8,11-12,17,21-22H,2-4,9-10,13-16,18H2,1H3,(H,28,31)(H,29,32)
InChIKeyVTQZEHBHCKIDDI-UHFFFAOYSA-N
XLogP4.30
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.58
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Lgh-447
CID 44814409
1-(4-Methoxybutyl)-N-(2-Methylpropyl)-N-[(3s,5r)-5-(Morpholine-4-Carbonyl)piperidin-3-Yl]-5-Phenyl-1h-Pyrrole-2-Carboxamide
CID 58355693
2-N,6-N-bis(2,6-dimethylphenyl)pyridine-2,6-dicarboxamide
CID 1010589
N-(6-Oxo-1,6-Dihydro-3,4'-Bipyridin-5-Yl)-4-(Piperidin-1-Yl)benzamide
CID 52936434
4-N-cyclopropyl-2-N-methyl-6-[(1S)-1-phenylethyl]pyridine-2,4-dicarboxamide
CID 132185545
6-benzyl-2-N-methyl-4-N-[(1S,2S)-2-methylcyclopropyl]pyridine-2,4-dicarboxamide
CID 132186011
5-[4-[(3-ethyl-2-oxidanylidene-1~{H}-quinolin-7-yl)methyl]piperazin-1-yl]-~{N}-methyl-pyridine-2-carboxamide
CID 156596360
N-[(1S)-1-cyclohexylethyl]-2-phenyl-3-[(4-propan-2-ylpiperazin-1-yl)methyl]quinoline-4-carboxamide
CID 9872857
(2R)-2-[(3R,6R)-3-(2,3-dihydro-1H-inden-2-yl)-2,5-dioxo-6-pentan-3-ylpiperazin-1-yl]-2-(2,6-dimethyl-3-pyridinyl)-N,N-dimethylacetamide
CID 11554957
(2R)-2-[(3R,6R)-3-(2,3-dihydro-1H-inden-2-yl)-2,5-dioxo-6-pentan-3-ylpiperazin-1-yl]-2-(2,6-dimethyl-3-pyridinyl)-N-methylacetamide
CID 11691437
(2R)-2-{(3R,6R)-3-(2,3-Dihydro-1H-inden-2-yl)-6-[(1S)-1-methylpropyl]-2,5-dioxo-1-piperazinyl}-2-(2,6-dimethyl-3-pyridinyl)-N-methylethanamide
CID 11705315
(2R)-2-[(2R,5R)-2-[(2S)-butan-2-yl]-5-(2,3-dihydro-1H-inden-2-yl)-3,6-dioxopiperazin-1-yl]-2-(2,6-dimethyl-3-pyridinyl)-N,N-dimethylacetamide
CID 11719871

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-(cyclohexylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-methylpyridine-2-carboxamide?
The IUPAC name of N-[3-[[4-(cyclohexylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-methylpyridine-2-carboxamide (CID 72703637) is N-[3-[[4-(cyclohexylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[3-[[4-(cyclohexylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-methylpyridine-2-carboxamide?
The canonical SMILES for N-[3-[[4-(cyclohexylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-methylpyridine-2-carboxamide is Cc1cccc(C(=O)Nc2cccc(CN3CCC(C(=O)NC4CCCCC4)CC3)c2)n1.
What is the InChIKey of N-[3-[[4-(cyclohexylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-methylpyridine-2-carboxamide?
The InChIKey is VTQZEHBHCKIDDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O2/c1-19-7-5-12-24(27-19)26(32)29-23-11-6-8-20(17-23)18-30-15-13-21(14-16-30)25(31)28-22-9-3-2-4-10-22/h5-8,11-12,17,21-22H,2-4,9-10,13-16,18H2,1H3,(H,28,31)(H,29,32).
What are the key properties of N-[3-[[4-(cyclohexylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-methylpyridine-2-carboxamide?
N-[3-[[4-(cyclohexylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-methylpyridine-2-carboxamide has a molecular weight of 434.58 g/mol, XLogP of 4.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-(cyclohexylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 72703637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).