6-[(3S)-1-(cyclohexanecarbonyl)piperidin-3-yl]-N-pyridin-2-ylpyridine-2-carboxamide

C23H28N4O2 — CID 95817678

IUPAC6-[(3S)-1-(cyclohexanecarbonyl)piperidin-3-yl]-N-pyridin-2-ylpyridine-2-carboxamide
SMILESO=C(Nc1ccccn1)c1cccc([C@H]2CCCN(C(=O)C3CCCCC3)C2)n1
InChIInChI=1S/C23H28N4O2/c28-22(26-21-13-4-5-14-24-21)20-12-6-11-19(25-20)18-10-7-15-27(16-18)23(29)17-8-2-1-3-9-17/h4-6,11-14,17-18H,1-3,7-10,15-16H2,(H,24,26,28)/t18-/m0/s1
InChIKeyFMYATIVHNNDBBQ-SFHVURJKSA-N
MW392.50 g/mol
LogP4.02
Rot. Bonds4

About 6-[(3S)-1-(cyclohexanecarbonyl)piperidin-3-yl]-N-pyridin-2-ylpyridine-2-carboxamide

6-[(3S)-1-(cyclohexanecarbonyl)piperidin-3-yl]-N-pyridin-2-ylpyridine-2-carboxamide (PubChem CID 95817678) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 6-[(3S)-1-(cyclohexanecarbonyl)piperidin-3-yl]-N-pyridin-2-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-[(3S)-1-(cyclohexanecarbonyl)piperidin-3-yl]-N-pyridin-2-ylpyridine-2-carboxamide
PubChem CID95817678
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name6-[(3S)-1-(cyclohexanecarbonyl)piperidin-3-yl]-N-pyridin-2-ylpyridine-2-carboxamide
SMILESO=C(Nc1ccccn1)c1cccc([C@H]2CCCN(C(=O)C3CCCCC3)C2)n1
InChIInChI=1S/C23H28N4O2/c28-22(26-21-13-4-5-14-24-21)20-12-6-11-19(25-20)18-10-7-15-27(16-18)23(29)17-8-2-1-3-9-17/h4-6,11-14,17-18H,1-3,7-10,15-16H2,(H,24,26,28)/t18-/m0/s1
InChIKeyFMYATIVHNNDBBQ-SFHVURJKSA-N
XLogP4.02
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[1-(cyclohexanecarbonyl)piperidin-3-yl]-N-pyridin-2-ylpyridine-2-carboxamide
CID 110254341
cyclohexyl-[(3R)-3-[5-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone
CID 95813574
6-[1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-N-pyridin-2-ylpyridine-2-carboxamide
CID 110090926
cyclohexyl-[3-[2-(pyridin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone
CID 155902293
6-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-N-pyridin-2-ylpyridine-2-carboxamide
CID 110254342
cyclohexyl-[(3R)-3-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]piperidin-1-yl]methanone
CID 95842111
cyclopentyl-[(3R)-3-[4-methyl-6-(pyridin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]methanone
CID 95820279
[(3S)-3-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 124982023
(3R)-3-N-cyclohexyl-1-N-pyridin-2-ylpiperidine-1,3-dicarboxamide
CID 95154562
(3S)-3-N-pyridin-2-ylpiperidine-1,3-dicarboxamide
CID 51927409
[3-(6-benzyl-2-pyridinyl)piperidin-1-yl]-cyclobutylmethanone
CID 110249571
cyclopentyl-[(3R)-3-(6-imidazol-1-yl-2-pyridinyl)piperidin-1-yl]methanone
CID 95838424

Frequently Asked Questions

What is the IUPAC name of 6-[(3S)-1-(cyclohexanecarbonyl)piperidin-3-yl]-N-pyridin-2-ylpyridine-2-carboxamide?
The IUPAC name of 6-[(3S)-1-(cyclohexanecarbonyl)piperidin-3-yl]-N-pyridin-2-ylpyridine-2-carboxamide (CID 95817678) is 6-[(3S)-1-(cyclohexanecarbonyl)piperidin-3-yl]-N-pyridin-2-ylpyridine-2-carboxamide.
What is the SMILES notation for 6-[(3S)-1-(cyclohexanecarbonyl)piperidin-3-yl]-N-pyridin-2-ylpyridine-2-carboxamide?
The canonical SMILES for 6-[(3S)-1-(cyclohexanecarbonyl)piperidin-3-yl]-N-pyridin-2-ylpyridine-2-carboxamide is O=C(Nc1ccccn1)c1cccc([C@H]2CCCN(C(=O)C3CCCCC3)C2)n1.
What is the InChIKey of 6-[(3S)-1-(cyclohexanecarbonyl)piperidin-3-yl]-N-pyridin-2-ylpyridine-2-carboxamide?
The InChIKey is FMYATIVHNNDBBQ-SFHVURJKSA-N. The full InChI is InChI=1S/C23H28N4O2/c28-22(26-21-13-4-5-14-24-21)20-12-6-11-19(25-20)18-10-7-15-27(16-18)23(29)17-8-2-1-3-9-17/h4-6,11-14,17-18H,1-3,7-10,15-16H2,(H,24,26,28)/t18-/m0/s1.
What are the key properties of 6-[(3S)-1-(cyclohexanecarbonyl)piperidin-3-yl]-N-pyridin-2-ylpyridine-2-carboxamide?
6-[(3S)-1-(cyclohexanecarbonyl)piperidin-3-yl]-N-pyridin-2-ylpyridine-2-carboxamide has a molecular weight of 392.50 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3S)-1-(cyclohexanecarbonyl)piperidin-3-yl]-N-pyridin-2-ylpyridine-2-carboxamide is sourced from PubChem (CID 95817678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).