N,1-dibenzyl-5-(2-hydroxy-5-methylbenzoyl)-2-oxopyridine-3-carboxamide

C28H24N2O4 — CID 2368427

IUPACN,1-dibenzyl-5-(2-hydroxy-5-methylbenzoyl)-2-oxopyridine-3-carboxamide
SMILESCc1ccc(O)c(C(=O)c2cc(C(=O)NCc3ccccc3)c(=O)n(Cc3ccccc3)c2)c1
InChIInChI=1S/C28H24N2O4/c1-19-12-13-25(31)23(14-19)26(32)22-15-24(27(33)29-16-20-8-4-2-5-9-20)28(34)30(18-22)17-21-10-6-3-7-11-21/h2-15,18,31H,16-17H2,1H3,(H,29,33)
InChIKeyWTQFFJHWJIJXSE-UHFFFAOYSA-N
MW452.51 g/mol
LogP4.07
Rot. Bonds7

About N,1-dibenzyl-5-(2-hydroxy-5-methylbenzoyl)-2-oxopyridine-3-carboxamide

N,1-dibenzyl-5-(2-hydroxy-5-methylbenzoyl)-2-oxopyridine-3-carboxamide (PubChem CID 2368427) has the molecular formula C28H24N2O4 and a molecular weight of 452.51 g/mol. Its IUPAC name is N,1-dibenzyl-5-(2-hydroxy-5-methylbenzoyl)-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN,1-dibenzyl-5-(2-hydroxy-5-methylbenzoyl)-2-oxopyridine-3-carboxamide
PubChem CID2368427
Molecular FormulaC28H24N2O4
Molecular Weight452.51 g/mol
Exact Mass452.17
IUPAC NameN,1-dibenzyl-5-(2-hydroxy-5-methylbenzoyl)-2-oxopyridine-3-carboxamide
SMILESCc1ccc(O)c(C(=O)c2cc(C(=O)NCc3ccccc3)c(=O)n(Cc3ccccc3)c2)c1
InChIInChI=1S/C28H24N2O4/c1-19-12-13-25(31)23(14-19)26(32)22-15-24(27(33)29-16-20-8-4-2-5-9-20)28(34)30(18-22)17-21-10-6-3-7-11-21/h2-15,18,31H,16-17H2,1H3,(H,29,33)
InChIKeyWTQFFJHWJIJXSE-UHFFFAOYSA-N
XLogP4.07
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.51
LogP ≤ 54.07
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-(2-hydroxy-5-methylbenzoyl)-2-oxopyridine-3-carboxamide?
The IUPAC name of N,1-dibenzyl-5-(2-hydroxy-5-methylbenzoyl)-2-oxopyridine-3-carboxamide (CID 2368427) is N,1-dibenzyl-5-(2-hydroxy-5-methylbenzoyl)-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N,1-dibenzyl-5-(2-hydroxy-5-methylbenzoyl)-2-oxopyridine-3-carboxamide?
The canonical SMILES for N,1-dibenzyl-5-(2-hydroxy-5-methylbenzoyl)-2-oxopyridine-3-carboxamide is Cc1ccc(O)c(C(=O)c2cc(C(=O)NCc3ccccc3)c(=O)n(Cc3ccccc3)c2)c1.
What is the InChIKey of N,1-dibenzyl-5-(2-hydroxy-5-methylbenzoyl)-2-oxopyridine-3-carboxamide?
The InChIKey is WTQFFJHWJIJXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N2O4/c1-19-12-13-25(31)23(14-19)26(32)22-15-24(27(33)29-16-20-8-4-2-5-9-20)28(34)30(18-22)17-21-10-6-3-7-11-21/h2-15,18,31H,16-17H2,1H3,(H,29,33).
What are the key properties of N,1-dibenzyl-5-(2-hydroxy-5-methylbenzoyl)-2-oxopyridine-3-carboxamide?
N,1-dibenzyl-5-(2-hydroxy-5-methylbenzoyl)-2-oxopyridine-3-carboxamide has a molecular weight of 452.51 g/mol, XLogP of 4.07, 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-(2-hydroxy-5-methylbenzoyl)-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 2368427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).