3-hydroxy-2-oxo-N-(4-phenylcyclohexyl)-1H-pyridine-4-carboxamide

C18H20N2O3 — CID 86730086

IUPAC3-hydroxy-2-oxo-N-(4-phenylcyclohexyl)-1H-pyridine-4-carboxamide
SMILESO=C(NC1CCC(c2ccccc2)CC1)c1cc[nH]c(=O)c1O
InChIInChI=1S/C18H20N2O3/c21-16-15(10-11-19-18(16)23)17(22)20-14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-5,10-11,13-14,21H,6-9H2,(H,19,23)(H,20,22)
InChIKeyNROPVJZHMDTXJW-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.54
Rot. Bonds3

About 3-hydroxy-2-oxo-N-(4-phenylcyclohexyl)-1H-pyridine-4-carboxamide

3-hydroxy-2-oxo-N-(4-phenylcyclohexyl)-1H-pyridine-4-carboxamide (PubChem CID 86730086) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 3-hydroxy-2-oxo-N-(4-phenylcyclohexyl)-1H-pyridine-4-carboxamide.

Molecular Properties

Compound Name3-hydroxy-2-oxo-N-(4-phenylcyclohexyl)-1H-pyridine-4-carboxamide
PubChem CID86730086
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name3-hydroxy-2-oxo-N-(4-phenylcyclohexyl)-1H-pyridine-4-carboxamide
SMILESO=C(NC1CCC(c2ccccc2)CC1)c1cc[nH]c(=O)c1O
InChIInChI=1S/C18H20N2O3/c21-16-15(10-11-19-18(16)23)17(22)20-14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-5,10-11,13-14,21H,6-9H2,(H,19,23)(H,20,22)
InChIKeyNROPVJZHMDTXJW-UHFFFAOYSA-N
XLogP2.54
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-oxo-N-(4-phenylcyclohexyl)-1H-pyridine-4-carboxamide?
The IUPAC name of 3-hydroxy-2-oxo-N-(4-phenylcyclohexyl)-1H-pyridine-4-carboxamide (CID 86730086) is 3-hydroxy-2-oxo-N-(4-phenylcyclohexyl)-1H-pyridine-4-carboxamide.
What is the SMILES notation for 3-hydroxy-2-oxo-N-(4-phenylcyclohexyl)-1H-pyridine-4-carboxamide?
The canonical SMILES for 3-hydroxy-2-oxo-N-(4-phenylcyclohexyl)-1H-pyridine-4-carboxamide is O=C(NC1CCC(c2ccccc2)CC1)c1cc[nH]c(=O)c1O.
What is the InChIKey of 3-hydroxy-2-oxo-N-(4-phenylcyclohexyl)-1H-pyridine-4-carboxamide?
The InChIKey is NROPVJZHMDTXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c21-16-15(10-11-19-18(16)23)17(22)20-14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-5,10-11,13-14,21H,6-9H2,(H,19,23)(H,20,22).
What are the key properties of 3-hydroxy-2-oxo-N-(4-phenylcyclohexyl)-1H-pyridine-4-carboxamide?
3-hydroxy-2-oxo-N-(4-phenylcyclohexyl)-1H-pyridine-4-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 2.54, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-oxo-N-(4-phenylcyclohexyl)-1H-pyridine-4-carboxamide is sourced from PubChem (CID 86730086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).