5-(5-chloro-2-hydroxybenzoyl)-N,1-bis(4-methylphenyl)-2-oxopyridine-3-carboxamide

C27H21ClN2O4 — CID 2479105

IUPAC5-(5-chloro-2-hydroxybenzoyl)-N,1-bis(4-methylphenyl)-2-oxopyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cc(C(=O)c3cc(Cl)ccc3O)cn(-c3ccc(C)cc3)c2=O)cc1
InChIInChI=1S/C27H21ClN2O4/c1-16-3-8-20(9-4-16)29-26(33)23-13-18(25(32)22-14-19(28)7-12-24(22)31)15-30(27(23)34)21-10-5-17(2)6-11-21/h3-15,31H,1-2H3,(H,29,33)
InChIKeyCFUGETSTXCIBNS-UHFFFAOYSA-N
MW472.93 g/mol
LogP5.30
Rot. Bonds5

About 5-(5-chloro-2-hydroxybenzoyl)-N,1-bis(4-methylphenyl)-2-oxopyridine-3-carboxamide

5-(5-chloro-2-hydroxybenzoyl)-N,1-bis(4-methylphenyl)-2-oxopyridine-3-carboxamide (PubChem CID 2479105) has the molecular formula C27H21ClN2O4 and a molecular weight of 472.93 g/mol. Its IUPAC name is 5-(5-chloro-2-hydroxybenzoyl)-N,1-bis(4-methylphenyl)-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name5-(5-chloro-2-hydroxybenzoyl)-N,1-bis(4-methylphenyl)-2-oxopyridine-3-carboxamide
PubChem CID2479105
Molecular FormulaC27H21ClN2O4
Molecular Weight472.93 g/mol
Exact Mass472.12
IUPAC Name5-(5-chloro-2-hydroxybenzoyl)-N,1-bis(4-methylphenyl)-2-oxopyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cc(C(=O)c3cc(Cl)ccc3O)cn(-c3ccc(C)cc3)c2=O)cc1
InChIInChI=1S/C27H21ClN2O4/c1-16-3-8-20(9-4-16)29-26(33)23-13-18(25(32)22-14-19(28)7-12-24(22)31)15-30(27(23)34)21-10-5-17(2)6-11-21/h3-15,31H,1-2H3,(H,29,33)
InChIKeyCFUGETSTXCIBNS-UHFFFAOYSA-N
XLogP5.30
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.93
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-2-hydroxybenzoyl)-N,1-bis(4-methylphenyl)-2-oxopyridine-3-carboxamide?
The IUPAC name of 5-(5-chloro-2-hydroxybenzoyl)-N,1-bis(4-methylphenyl)-2-oxopyridine-3-carboxamide (CID 2479105) is 5-(5-chloro-2-hydroxybenzoyl)-N,1-bis(4-methylphenyl)-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 5-(5-chloro-2-hydroxybenzoyl)-N,1-bis(4-methylphenyl)-2-oxopyridine-3-carboxamide?
The canonical SMILES for 5-(5-chloro-2-hydroxybenzoyl)-N,1-bis(4-methylphenyl)-2-oxopyridine-3-carboxamide is Cc1ccc(NC(=O)c2cc(C(=O)c3cc(Cl)ccc3O)cn(-c3ccc(C)cc3)c2=O)cc1.
What is the InChIKey of 5-(5-chloro-2-hydroxybenzoyl)-N,1-bis(4-methylphenyl)-2-oxopyridine-3-carboxamide?
The InChIKey is CFUGETSTXCIBNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21ClN2O4/c1-16-3-8-20(9-4-16)29-26(33)23-13-18(25(32)22-14-19(28)7-12-24(22)31)15-30(27(23)34)21-10-5-17(2)6-11-21/h3-15,31H,1-2H3,(H,29,33).
What are the key properties of 5-(5-chloro-2-hydroxybenzoyl)-N,1-bis(4-methylphenyl)-2-oxopyridine-3-carboxamide?
5-(5-chloro-2-hydroxybenzoyl)-N,1-bis(4-methylphenyl)-2-oxopyridine-3-carboxamide has a molecular weight of 472.93 g/mol, XLogP of 5.30, 5 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)-N,1-bis(4-methylphenyl)-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 2479105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).