6-chloro-3-hydroxy-1-methyl-2-oxo-N-(4-phenylcyclohexyl)pyridine-4-carboxamide

C19H21ClN2O3 — CID 89491083

IUPAC6-chloro-3-hydroxy-1-methyl-2-oxo-N-(4-phenylcyclohexyl)pyridine-4-carboxamide
SMILESCn1c(Cl)cc(C(=O)NC2CCC(c3ccccc3)CC2)c(O)c1=O
InChIInChI=1S/C19H21ClN2O3/c1-22-16(20)11-15(17(23)19(22)25)18(24)21-14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-6,11,13-14,23H,7-10H2,1H3,(H,21,24)
InChIKeyLWRPHTQDXOENKI-UHFFFAOYSA-N
MW360.84 g/mol
LogP3.20
Rot. Bonds3

About 6-chloro-3-hydroxy-1-methyl-2-oxo-N-(4-phenylcyclohexyl)pyridine-4-carboxamide

6-chloro-3-hydroxy-1-methyl-2-oxo-N-(4-phenylcyclohexyl)pyridine-4-carboxamide (PubChem CID 89491083) has the molecular formula C19H21ClN2O3 and a molecular weight of 360.84 g/mol. Its IUPAC name is 6-chloro-3-hydroxy-1-methyl-2-oxo-N-(4-phenylcyclohexyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name6-chloro-3-hydroxy-1-methyl-2-oxo-N-(4-phenylcyclohexyl)pyridine-4-carboxamide
PubChem CID89491083
Molecular FormulaC19H21ClN2O3
Molecular Weight360.84 g/mol
Exact Mass360.12
IUPAC Name6-chloro-3-hydroxy-1-methyl-2-oxo-N-(4-phenylcyclohexyl)pyridine-4-carboxamide
SMILESCn1c(Cl)cc(C(=O)NC2CCC(c3ccccc3)CC2)c(O)c1=O
InChIInChI=1S/C19H21ClN2O3/c1-22-16(20)11-15(17(23)19(22)25)18(24)21-14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-6,11,13-14,23H,7-10H2,1H3,(H,21,24)
InChIKeyLWRPHTQDXOENKI-UHFFFAOYSA-N
XLogP3.20
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.84
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-hydroxy-1-methyl-2-oxo-N-(4-phenylcyclohexyl)pyridine-4-carboxamide?
The IUPAC name of 6-chloro-3-hydroxy-1-methyl-2-oxo-N-(4-phenylcyclohexyl)pyridine-4-carboxamide (CID 89491083) is 6-chloro-3-hydroxy-1-methyl-2-oxo-N-(4-phenylcyclohexyl)pyridine-4-carboxamide.
What is the SMILES notation for 6-chloro-3-hydroxy-1-methyl-2-oxo-N-(4-phenylcyclohexyl)pyridine-4-carboxamide?
The canonical SMILES for 6-chloro-3-hydroxy-1-methyl-2-oxo-N-(4-phenylcyclohexyl)pyridine-4-carboxamide is Cn1c(Cl)cc(C(=O)NC2CCC(c3ccccc3)CC2)c(O)c1=O.
What is the InChIKey of 6-chloro-3-hydroxy-1-methyl-2-oxo-N-(4-phenylcyclohexyl)pyridine-4-carboxamide?
The InChIKey is LWRPHTQDXOENKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3/c1-22-16(20)11-15(17(23)19(22)25)18(24)21-14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-6,11,13-14,23H,7-10H2,1H3,(H,21,24).
What are the key properties of 6-chloro-3-hydroxy-1-methyl-2-oxo-N-(4-phenylcyclohexyl)pyridine-4-carboxamide?
6-chloro-3-hydroxy-1-methyl-2-oxo-N-(4-phenylcyclohexyl)pyridine-4-carboxamide has a molecular weight of 360.84 g/mol, XLogP of 3.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-hydroxy-1-methyl-2-oxo-N-(4-phenylcyclohexyl)pyridine-4-carboxamide is sourced from PubChem (CID 89491083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).