N,1-dibenzyl-5-(5-chloro-2-hydroxybenzoyl)-2-oxopyridine-3-carboxamide

C27H21ClN2O4 — CID 2373067

IUPACN,1-dibenzyl-5-(5-chloro-2-hydroxybenzoyl)-2-oxopyridine-3-carboxamide
SMILESO=C(c1cc(C(=O)NCc2ccccc2)c(=O)n(Cc2ccccc2)c1)c1cc(Cl)ccc1O
InChIInChI=1S/C27H21ClN2O4/c28-21-11-12-24(31)22(14-21)25(32)20-13-23(26(33)29-15-18-7-3-1-4-8-18)27(34)30(17-20)16-19-9-5-2-6-10-19/h1-14,17,31H,15-16H2,(H,29,33)
InChIKeyBLNVTRUCCCLLNE-UHFFFAOYSA-N
MW472.93 g/mol
LogP4.42
Rot. Bonds7

About N,1-dibenzyl-5-(5-chloro-2-hydroxybenzoyl)-2-oxopyridine-3-carboxamide

N,1-dibenzyl-5-(5-chloro-2-hydroxybenzoyl)-2-oxopyridine-3-carboxamide (PubChem CID 2373067) has the molecular formula C27H21ClN2O4 and a molecular weight of 472.93 g/mol. Its IUPAC name is N,1-dibenzyl-5-(5-chloro-2-hydroxybenzoyl)-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN,1-dibenzyl-5-(5-chloro-2-hydroxybenzoyl)-2-oxopyridine-3-carboxamide
PubChem CID2373067
Molecular FormulaC27H21ClN2O4
Molecular Weight472.93 g/mol
Exact Mass472.12
IUPAC NameN,1-dibenzyl-5-(5-chloro-2-hydroxybenzoyl)-2-oxopyridine-3-carboxamide
SMILESO=C(c1cc(C(=O)NCc2ccccc2)c(=O)n(Cc2ccccc2)c1)c1cc(Cl)ccc1O
InChIInChI=1S/C27H21ClN2O4/c28-21-11-12-24(31)22(14-21)25(32)20-13-23(26(33)29-15-18-7-3-1-4-8-18)27(34)30(17-20)16-19-9-5-2-6-10-19/h1-14,17,31H,15-16H2,(H,29,33)
InChIKeyBLNVTRUCCCLLNE-UHFFFAOYSA-N
XLogP4.42
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.93
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,1-dibenzyl-5-(5-chloro-2-hydroxybenzoyl)-2-oxopyridine-3-carboxamide?
The IUPAC name of N,1-dibenzyl-5-(5-chloro-2-hydroxybenzoyl)-2-oxopyridine-3-carboxamide (CID 2373067) is N,1-dibenzyl-5-(5-chloro-2-hydroxybenzoyl)-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N,1-dibenzyl-5-(5-chloro-2-hydroxybenzoyl)-2-oxopyridine-3-carboxamide?
The canonical SMILES for N,1-dibenzyl-5-(5-chloro-2-hydroxybenzoyl)-2-oxopyridine-3-carboxamide is O=C(c1cc(C(=O)NCc2ccccc2)c(=O)n(Cc2ccccc2)c1)c1cc(Cl)ccc1O.
What is the InChIKey of N,1-dibenzyl-5-(5-chloro-2-hydroxybenzoyl)-2-oxopyridine-3-carboxamide?
The InChIKey is BLNVTRUCCCLLNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21ClN2O4/c28-21-11-12-24(31)22(14-21)25(32)20-13-23(26(33)29-15-18-7-3-1-4-8-18)27(34)30(17-20)16-19-9-5-2-6-10-19/h1-14,17,31H,15-16H2,(H,29,33).
What are the key properties of N,1-dibenzyl-5-(5-chloro-2-hydroxybenzoyl)-2-oxopyridine-3-carboxamide?
N,1-dibenzyl-5-(5-chloro-2-hydroxybenzoyl)-2-oxopyridine-3-carboxamide has a molecular weight of 472.93 g/mol, XLogP of 4.42, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dibenzyl-5-(5-chloro-2-hydroxybenzoyl)-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 2373067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).