6-[(3S)-1-[2-(1-hydroxycyclohexyl)acetyl]piperidin-3-yl]-N-methylpyridine-3-carboxamide

C20H29N3O3 — CID 92621905

IUPAC6-[(3S)-1-[2-(1-hydroxycyclohexyl)acetyl]piperidin-3-yl]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1ccc([C@H]2CCCN(C(=O)CC3(O)CCCCC3)C2)nc1
InChIInChI=1S/C20H29N3O3/c1-21-19(25)15-7-8-17(22-13-15)16-6-5-11-23(14-16)18(24)12-20(26)9-3-2-4-10-20/h7-8,13,16,26H,2-6,9-12,14H2,1H3,(H,21,25)/t16-/m0/s1
InChIKeyWAUDOTQDHLXSED-INIZCTEOSA-N
MW359.47 g/mol
LogP2.23
Rot. Bonds4

About 6-[(3S)-1-[2-(1-hydroxycyclohexyl)acetyl]piperidin-3-yl]-N-methylpyridine-3-carboxamide

6-[(3S)-1-[2-(1-hydroxycyclohexyl)acetyl]piperidin-3-yl]-N-methylpyridine-3-carboxamide (PubChem CID 92621905) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is 6-[(3S)-1-[2-(1-hydroxycyclohexyl)acetyl]piperidin-3-yl]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(3S)-1-[2-(1-hydroxycyclohexyl)acetyl]piperidin-3-yl]-N-methylpyridine-3-carboxamide
PubChem CID92621905
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name6-[(3S)-1-[2-(1-hydroxycyclohexyl)acetyl]piperidin-3-yl]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1ccc([C@H]2CCCN(C(=O)CC3(O)CCCCC3)C2)nc1
InChIInChI=1S/C20H29N3O3/c1-21-19(25)15-7-8-17(22-13-15)16-6-5-11-23(14-16)18(24)12-20(26)9-3-2-4-10-20/h7-8,13,16,26H,2-6,9-12,14H2,1H3,(H,21,25)/t16-/m0/s1
InChIKeyWAUDOTQDHLXSED-INIZCTEOSA-N
XLogP2.23
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-[(3S)-1-[2-(1-hydroxycyclohexyl)acetyl]piperidin-3-yl]-N-methylpyridine-3-carboxamide with MolForge

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Related Compounds

N-(cyclopropylmethyl)-6-[1-[2-(1-hydroxycyclohexyl)acetyl]piperidin-3-yl]pyridine-3-carboxamide
CID 110264271
6-[(3R)-1-[2-(1-hydroxycyclohexyl)acetyl]piperidin-3-yl]-1H-pyrimidin-2-one
CID 125009841
N-methyl-6-[(3S)-1-(2-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)piperidin-3-yl]pyridine-3-carboxamide
CID 92621895
2-(1-hydroxycyclohexyl)-1-[(3S)-3-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]ethanone
CID 124997525
N-(cyclopropylmethyl)-6-[1-[2-(methylamino)pyrimidine-5-carbonyl]piperidin-3-yl]pyridine-3-carboxamide
CID 110264273
1-[3-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]ethanone
CID 110090089
N-(4-fluorophenyl)-6-[1-[2-(methanesulfonamido)acetyl]piperidin-3-yl]pyridine-3-carboxamide
CID 110264257
N-methyl-6-piperidin-4-ylpyridine-3-carboxamide
CID 73440684
6-[4-(2-methoxyacetyl)morpholin-2-yl]-N-methylpyridine-3-carboxamide
CID 110269002
N-(cyclopropylmethyl)-6-[(3S)-1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-3-yl]pyridine-3-carboxamide
CID 92621550
N-(cyclopropylmethyl)-6-[(3R)-1-(3-ethylimidazole-4-carbonyl)piperidin-3-yl]pyridine-3-carboxamide
CID 92621900
N-(cyclopropylmethyl)-6-[1-(3-ethylimidazole-4-carbonyl)piperidin-3-yl]pyridine-3-carboxamide
CID 110264282

Frequently Asked Questions

What is the IUPAC name of 6-[(3S)-1-[2-(1-hydroxycyclohexyl)acetyl]piperidin-3-yl]-N-methylpyridine-3-carboxamide?
The IUPAC name of 6-[(3S)-1-[2-(1-hydroxycyclohexyl)acetyl]piperidin-3-yl]-N-methylpyridine-3-carboxamide (CID 92621905) is 6-[(3S)-1-[2-(1-hydroxycyclohexyl)acetyl]piperidin-3-yl]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 6-[(3S)-1-[2-(1-hydroxycyclohexyl)acetyl]piperidin-3-yl]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 6-[(3S)-1-[2-(1-hydroxycyclohexyl)acetyl]piperidin-3-yl]-N-methylpyridine-3-carboxamide is CNC(=O)c1ccc([C@H]2CCCN(C(=O)CC3(O)CCCCC3)C2)nc1.
What is the InChIKey of 6-[(3S)-1-[2-(1-hydroxycyclohexyl)acetyl]piperidin-3-yl]-N-methylpyridine-3-carboxamide?
The InChIKey is WAUDOTQDHLXSED-INIZCTEOSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-21-19(25)15-7-8-17(22-13-15)16-6-5-11-23(14-16)18(24)12-20(26)9-3-2-4-10-20/h7-8,13,16,26H,2-6,9-12,14H2,1H3,(H,21,25)/t16-/m0/s1.
What are the key properties of 6-[(3S)-1-[2-(1-hydroxycyclohexyl)acetyl]piperidin-3-yl]-N-methylpyridine-3-carboxamide?
6-[(3S)-1-[2-(1-hydroxycyclohexyl)acetyl]piperidin-3-yl]-N-methylpyridine-3-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3S)-1-[2-(1-hydroxycyclohexyl)acetyl]piperidin-3-yl]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 92621905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).