5-(5-chloro-2-hydroxybenzoyl)-2-oxo-N,1-bis(2-phenylethyl)pyridine-3-carboxamide

C29H25ClN2O4 — CID 2368407

IUPAC5-(5-chloro-2-hydroxybenzoyl)-2-oxo-N,1-bis(2-phenylethyl)pyridine-3-carboxamide
SMILESO=C(c1cc(C(=O)NCCc2ccccc2)c(=O)n(CCc2ccccc2)c1)c1cc(Cl)ccc1O
InChIInChI=1S/C29H25ClN2O4/c30-23-11-12-26(33)24(18-23)27(34)22-17-25(28(35)31-15-13-20-7-3-1-4-8-20)29(36)32(19-22)16-14-21-9-5-2-6-10-21/h1-12,17-19,33H,13-16H2,(H,31,35)
InChIKeyYIYVJRHVGVYBNW-UHFFFAOYSA-N
MW500.98 g/mol
LogP4.65
Rot. Bonds9

About 5-(5-chloro-2-hydroxybenzoyl)-2-oxo-N,1-bis(2-phenylethyl)pyridine-3-carboxamide

5-(5-chloro-2-hydroxybenzoyl)-2-oxo-N,1-bis(2-phenylethyl)pyridine-3-carboxamide (PubChem CID 2368407) has the molecular formula C29H25ClN2O4 and a molecular weight of 500.98 g/mol. Its IUPAC name is 5-(5-chloro-2-hydroxybenzoyl)-2-oxo-N,1-bis(2-phenylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(5-chloro-2-hydroxybenzoyl)-2-oxo-N,1-bis(2-phenylethyl)pyridine-3-carboxamide
PubChem CID2368407
Molecular FormulaC29H25ClN2O4
Molecular Weight500.98 g/mol
Exact Mass500.15
IUPAC Name5-(5-chloro-2-hydroxybenzoyl)-2-oxo-N,1-bis(2-phenylethyl)pyridine-3-carboxamide
SMILESO=C(c1cc(C(=O)NCCc2ccccc2)c(=O)n(CCc2ccccc2)c1)c1cc(Cl)ccc1O
InChIInChI=1S/C29H25ClN2O4/c30-23-11-12-26(33)24(18-23)27(34)22-17-25(28(35)31-15-13-20-7-3-1-4-8-20)29(36)32(19-22)16-14-21-9-5-2-6-10-21/h1-12,17-19,33H,13-16H2,(H,31,35)
InChIKeyYIYVJRHVGVYBNW-UHFFFAOYSA-N
XLogP4.65
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.98
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(5-chloro-2-hydroxybenzoyl)-2-oxo-N,1-diphenylpyridine-3-carboxamide
CID 2491483
5-chloro-2-hydroxy-N-[(1S)-1-phenylethyl]benzamide
CID 29778035
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(3-chlorophenyl)ethyl]-2-hydroxybenzamide
CID 118246812
5-(5-chloro-2-hydroxybenzoyl)-N,1-bis(4-fluorophenyl)-2-oxopyridine-3-carboxamide
CID 2368904
N,1-dibenzyl-5-(5-chloro-2-hydroxybenzoyl)-2-oxopyridine-3-carboxamide
CID 2373067
N,1-bis[(4-chlorophenyl)methyl]-5-(5-fluoro-2-hydroxybenzoyl)-2-oxopyridine-3-carboxamide
CID 2377732
N,1-dicyclohexyl-5-(5-fluoro-2-hydroxybenzoyl)-2-oxopyridine-3-carboxamide
CID 2379333
5-(5-chloro-2-hydroxybenzoyl)-N,1-bis(2-methylphenyl)-2-oxopyridine-3-carboxamide
CID 2392026
5-(5-chloro-2-hydroxybenzoyl)-N,1-bis(2-fluorophenyl)-2-oxopyridine-3-carboxamide
CID 2407176
5-(2-hydroxy-5-methylbenzoyl)-2-oxo-N,1-bis(2-phenylethyl)pyridine-3-carboxamide
CID 2432028
5-(5-chloro-2-hydroxybenzoyl)-N,1-bis(4-methylphenyl)-2-oxopyridine-3-carboxamide
CID 2479105
5-(5-chloro-2-hydroxybenzoyl)-N,1-bis[2-(4-methoxyphenyl)ethyl]-2-oxopyridine-3-carboxamide
CID 3950334

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-2-hydroxybenzoyl)-2-oxo-N,1-bis(2-phenylethyl)pyridine-3-carboxamide?
The IUPAC name of 5-(5-chloro-2-hydroxybenzoyl)-2-oxo-N,1-bis(2-phenylethyl)pyridine-3-carboxamide (CID 2368407) is 5-(5-chloro-2-hydroxybenzoyl)-2-oxo-N,1-bis(2-phenylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(5-chloro-2-hydroxybenzoyl)-2-oxo-N,1-bis(2-phenylethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(5-chloro-2-hydroxybenzoyl)-2-oxo-N,1-bis(2-phenylethyl)pyridine-3-carboxamide is O=C(c1cc(C(=O)NCCc2ccccc2)c(=O)n(CCc2ccccc2)c1)c1cc(Cl)ccc1O.
What is the InChIKey of 5-(5-chloro-2-hydroxybenzoyl)-2-oxo-N,1-bis(2-phenylethyl)pyridine-3-carboxamide?
The InChIKey is YIYVJRHVGVYBNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25ClN2O4/c30-23-11-12-26(33)24(18-23)27(34)22-17-25(28(35)31-15-13-20-7-3-1-4-8-20)29(36)32(19-22)16-14-21-9-5-2-6-10-21/h1-12,17-19,33H,13-16H2,(H,31,35).
What are the key properties of 5-(5-chloro-2-hydroxybenzoyl)-2-oxo-N,1-bis(2-phenylethyl)pyridine-3-carboxamide?
5-(5-chloro-2-hydroxybenzoyl)-2-oxo-N,1-bis(2-phenylethyl)pyridine-3-carboxamide has a molecular weight of 500.98 g/mol, XLogP of 4.65, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-2-hydroxybenzoyl)-2-oxo-N,1-bis(2-phenylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 2368407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).