5-chloro-N-[3-[[(1R,3R)-3-methylcyclohexyl]oxymethyl]phenyl]-6-oxo-1H-pyridine-3-carboxamide

C20H23ClN2O3 — CID 95247950

IUPAC5-chloro-N-[3-[[(1R,3R)-3-methylcyclohexyl]oxymethyl]phenyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESC[C@@H]1CCC[C@@H](OCc2cccc(NC(=O)c3c[nH]c(=O)c(Cl)c3)c2)C1
InChIInChI=1S/C20H23ClN2O3/c1-13-4-2-7-17(8-13)26-12-14-5-3-6-16(9-14)23-19(24)15-10-18(21)20(25)22-11-15/h3,5-6,9-11,13,17H,2,4,7-8,12H2,1H3,(H,22,25)(H,23,24)/t13-,17-/m1/s1
InChIKeyORCKUGYXSSUOFL-CXAGYDPISA-N
MW374.87 g/mol
LogP4.38
Rot. Bonds5

About 5-chloro-N-[3-[[(1R,3R)-3-methylcyclohexyl]oxymethyl]phenyl]-6-oxo-1H-pyridine-3-carboxamide

5-chloro-N-[3-[[(1R,3R)-3-methylcyclohexyl]oxymethyl]phenyl]-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 95247950) has the molecular formula C20H23ClN2O3 and a molecular weight of 374.87 g/mol. Its IUPAC name is 5-chloro-N-[3-[[(1R,3R)-3-methylcyclohexyl]oxymethyl]phenyl]-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[3-[[(1R,3R)-3-methylcyclohexyl]oxymethyl]phenyl]-6-oxo-1H-pyridine-3-carboxamide
PubChem CID95247950
Molecular FormulaC20H23ClN2O3
Molecular Weight374.87 g/mol
Exact Mass374.14
IUPAC Name5-chloro-N-[3-[[(1R,3R)-3-methylcyclohexyl]oxymethyl]phenyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESC[C@@H]1CCC[C@@H](OCc2cccc(NC(=O)c3c[nH]c(=O)c(Cl)c3)c2)C1
InChIInChI=1S/C20H23ClN2O3/c1-13-4-2-7-17(8-13)26-12-14-5-3-6-16(9-14)23-19(24)15-10-18(21)20(25)22-11-15/h3,5-6,9-11,13,17H,2,4,7-8,12H2,1H3,(H,22,25)(H,23,24)/t13-,17-/m1/s1
InChIKeyORCKUGYXSSUOFL-CXAGYDPISA-N
XLogP4.38
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-chloro-N-[3-[[(1R,3R)-3-methylcyclohexyl]oxymethyl]phenyl]-6-oxo-1H-pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-[[(1R,3R)-3-methylcyclohexyl]oxymethyl]phenyl]-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-[3-[[(1R,3R)-3-methylcyclohexyl]oxymethyl]phenyl]-6-oxo-1H-pyridine-3-carboxamide (CID 95247950) is 5-chloro-N-[3-[[(1R,3R)-3-methylcyclohexyl]oxymethyl]phenyl]-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-[3-[[(1R,3R)-3-methylcyclohexyl]oxymethyl]phenyl]-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-[3-[[(1R,3R)-3-methylcyclohexyl]oxymethyl]phenyl]-6-oxo-1H-pyridine-3-carboxamide is C[C@@H]1CCC[C@@H](OCc2cccc(NC(=O)c3c[nH]c(=O)c(Cl)c3)c2)C1.
What is the InChIKey of 5-chloro-N-[3-[[(1R,3R)-3-methylcyclohexyl]oxymethyl]phenyl]-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is ORCKUGYXSSUOFL-CXAGYDPISA-N. The full InChI is InChI=1S/C20H23ClN2O3/c1-13-4-2-7-17(8-13)26-12-14-5-3-6-16(9-14)23-19(24)15-10-18(21)20(25)22-11-15/h3,5-6,9-11,13,17H,2,4,7-8,12H2,1H3,(H,22,25)(H,23,24)/t13-,17-/m1/s1.
What are the key properties of 5-chloro-N-[3-[[(1R,3R)-3-methylcyclohexyl]oxymethyl]phenyl]-6-oxo-1H-pyridine-3-carboxamide?
5-chloro-N-[3-[[(1R,3R)-3-methylcyclohexyl]oxymethyl]phenyl]-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 374.87 g/mol, XLogP of 4.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-[[(1R,3R)-3-methylcyclohexyl]oxymethyl]phenyl]-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 95247950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).