6-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyridine-3-carboxamide

C18H27N3O2 — CID 24816846

IUPAC6-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyridine-3-carboxamide
SMILESO=C(NCC1(N2CCCCC2)CCCCC1)c1ccc(=O)[nH]c1
InChIInChI=1S/C18H27N3O2/c22-16-8-7-15(13-19-16)17(23)20-14-18(9-3-1-4-10-18)21-11-5-2-6-12-21/h7-8,13H,1-6,9-12,14H2,(H,19,22)(H,20,23)
InChIKeyYGXKEOJDDBWYBV-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.29
Rot. Bonds4

About 6-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyridine-3-carboxamide

6-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyridine-3-carboxamide (PubChem CID 24816846) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 6-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyridine-3-carboxamide
PubChem CID24816846
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name6-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyridine-3-carboxamide
SMILESO=C(NCC1(N2CCCCC2)CCCCC1)c1ccc(=O)[nH]c1
InChIInChI=1S/C18H27N3O2/c22-16-8-7-15(13-19-16)17(23)20-14-18(9-3-1-4-10-18)21-11-5-2-6-12-21/h7-8,13H,1-6,9-12,14H2,(H,19,22)(H,20,23)
InChIKeyYGXKEOJDDBWYBV-UHFFFAOYSA-N
XLogP2.29
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyridine-3-carboxamide?
The IUPAC name of 6-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyridine-3-carboxamide (CID 24816846) is 6-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyridine-3-carboxamide is O=C(NCC1(N2CCCCC2)CCCCC1)c1ccc(=O)[nH]c1.
What is the InChIKey of 6-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyridine-3-carboxamide?
The InChIKey is YGXKEOJDDBWYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c22-16-8-7-15(13-19-16)17(23)20-14-18(9-3-1-4-10-18)21-11-5-2-6-12-21/h7-8,13H,1-6,9-12,14H2,(H,19,22)(H,20,23).
What are the key properties of 6-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyridine-3-carboxamide?
6-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyridine-3-carboxamide has a molecular weight of 317.43 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 24816846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).