N,1-dibenzyl-5-chloro-6-oxopyridine-3-carboxamide

C20H17ClN2O2 — CID 1485997

IUPACN,1-dibenzyl-5-chloro-6-oxopyridine-3-carboxamide
SMILESO=C(NCc1ccccc1)c1cc(Cl)c(=O)n(Cc2ccccc2)c1
InChIInChI=1S/C20H17ClN2O2/c21-18-11-17(19(24)22-12-15-7-3-1-4-8-15)14-23(20(18)25)13-16-9-5-2-6-10-16/h1-11,14H,12-13H2,(H,22,24)
InChIKeyAUHSUPOAHXXDLU-UHFFFAOYSA-N
MW352.82 g/mol
LogP3.48
Rot. Bonds5

About N,1-dibenzyl-5-chloro-6-oxopyridine-3-carboxamide

N,1-dibenzyl-5-chloro-6-oxopyridine-3-carboxamide (PubChem CID 1485997) has the molecular formula C20H17ClN2O2 and a molecular weight of 352.82 g/mol. Its IUPAC name is N,1-dibenzyl-5-chloro-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN,1-dibenzyl-5-chloro-6-oxopyridine-3-carboxamide
PubChem CID1485997
Molecular FormulaC20H17ClN2O2
Molecular Weight352.82 g/mol
Exact Mass352.10
IUPAC NameN,1-dibenzyl-5-chloro-6-oxopyridine-3-carboxamide
SMILESO=C(NCc1ccccc1)c1cc(Cl)c(=O)n(Cc2ccccc2)c1
InChIInChI=1S/C20H17ClN2O2/c21-18-11-17(19(24)22-12-15-7-3-1-4-8-15)14-23(20(18)25)13-16-9-5-2-6-10-16/h1-11,14H,12-13H2,(H,22,24)
InChIKeyAUHSUPOAHXXDLU-UHFFFAOYSA-N
XLogP3.48
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.82
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-1-[(4-chlorophenyl)methyl]-6-oxo-N-phenylpyridine-3-carboxamide
CID 1486006
5-chloro-1-[(3,4-dichlorophenyl)methyl]-6-oxo-N-phenylpyridine-3-carboxamide
CID 1482997
5-chloro-1-[(3-chlorophenyl)methyl]-6-oxopyridine-3-carboxylic acid
CID 2764356
5-chloro-N-[(3-chlorophenyl)methyl]-1-methyl-6-oxopyridine-3-carboxamide
CID 149227651
3-[[1-benzyl-5-(methylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]propylcarbamic acid
CID 135341859
6-amino-N-benzyl-5-chloropyridine-3-carboxamide
CID 62153073
methyl 5-chloro-1-[(4-chlorophenyl)methyl]-6-oxopyridine-3-carboxylate
CID 1485992
N-benzyl-1-hydroxy-6-oxopyridine-3-carboxamide
CID 118717064
N-[2-(benzylamino)-2-oxoethyl]-3,4-dichlorobenzamide
CID 9336870
1-benzyl-N-methyl-5-(methylaminomethyl)-2-oxopyridine-3-carboxamide
CID 126676383
1-benzyl-3-N-methyl-2-oxo-5-N-(3-piperidin-1-ylpropyl)pyridine-3,5-dicarboxamide
CID 126721294
N-benzyl-4-[4-(benzylcarbamoyl)benzoyl]benzamide
CID 20598592

Frequently Asked Questions

What is the IUPAC name of N,1-dibenzyl-5-chloro-6-oxopyridine-3-carboxamide?
The IUPAC name of N,1-dibenzyl-5-chloro-6-oxopyridine-3-carboxamide (CID 1485997) is N,1-dibenzyl-5-chloro-6-oxopyridine-3-carboxamide.
What is the SMILES notation for N,1-dibenzyl-5-chloro-6-oxopyridine-3-carboxamide?
The canonical SMILES for N,1-dibenzyl-5-chloro-6-oxopyridine-3-carboxamide is O=C(NCc1ccccc1)c1cc(Cl)c(=O)n(Cc2ccccc2)c1.
What is the InChIKey of N,1-dibenzyl-5-chloro-6-oxopyridine-3-carboxamide?
The InChIKey is AUHSUPOAHXXDLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O2/c21-18-11-17(19(24)22-12-15-7-3-1-4-8-15)14-23(20(18)25)13-16-9-5-2-6-10-16/h1-11,14H,12-13H2,(H,22,24).
What are the key properties of N,1-dibenzyl-5-chloro-6-oxopyridine-3-carboxamide?
N,1-dibenzyl-5-chloro-6-oxopyridine-3-carboxamide has a molecular weight of 352.82 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dibenzyl-5-chloro-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 1485997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).