N'-benzoyl-1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carbohydrazide

C20H16ClN3O3 — CID 24546266

IUPACN'-benzoyl-1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carbohydrazide
SMILESO=C(NNC(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1)c1ccccc1
InChIInChI=1S/C20H16ClN3O3/c21-17-9-5-4-8-15(17)12-24-13-16(10-11-18(24)25)20(27)23-22-19(26)14-6-2-1-3-7-14/h1-11,13H,12H2,(H,22,26)(H,23,27)
InChIKeyGEFXZNCLCCAYRR-UHFFFAOYSA-N
MW381.82 g/mol
LogP2.62
Rot. Bonds4

About N'-benzoyl-1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carbohydrazide

N'-benzoyl-1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carbohydrazide (PubChem CID 24546266) has the molecular formula C20H16ClN3O3 and a molecular weight of 381.82 g/mol. Its IUPAC name is N'-benzoyl-1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-benzoyl-1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carbohydrazide
PubChem CID24546266
Molecular FormulaC20H16ClN3O3
Molecular Weight381.82 g/mol
Exact Mass381.09
IUPAC NameN'-benzoyl-1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carbohydrazide
SMILESO=C(NNC(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1)c1ccccc1
InChIInChI=1S/C20H16ClN3O3/c21-17-9-5-4-8-15(17)12-24-13-16(10-11-18(24)25)20(27)23-22-19(26)14-6-2-1-3-7-14/h1-11,13H,12H2,(H,22,26)(H,23,27)
InChIKeyGEFXZNCLCCAYRR-UHFFFAOYSA-N
XLogP2.62
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.82
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(2-chlorophenyl)methyl]-6-oxo-N-(2-phenylethyl)pyridine-3-carboxamide
CID 16573910
1-benzyl-N'-(4-chlorobenzoyl)-6-oxopyridine-3-carbohydrazide
CID 27370713
1-benzyl-N'-(4-fluorobenzoyl)-6-oxopyridine-3-carbohydrazide
CID 27370694
1-[(2-chlorophenyl)methyl]-6-oxo-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide
CID 8671405
1-[(2-chlorophenyl)methyl]-N-[2-(methylamino)propyl]-6-oxopyridine-3-carboxamide
CID 120827036
3-[[1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carbonyl]amino]-4-methoxy-3-methylbutanoic acid
CID 120532327
1-[(2-chlorophenyl)methyl]-N-(3-iodophenyl)-6-oxopyridine-3-carboxamide
CID 24559544
1-[(2-chlorophenyl)methyl]-6-oxo-N-pyrrolidin-3-ylpyridine-3-carboxamide
CID 119454148
1-[(2-chlorophenyl)methyl]-N-(2-methoxyphenyl)-6-oxopyridine-3-carboxamide
CID 8671416
1-[(2-chlorophenyl)methyl]-N-methyl-6-oxo-N-phenylpyridine-3-carboxamide
CID 24559383
1-[(2-chlorophenyl)methyl]-6-oxo-N-(1-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 18160634
1-[(2-chlorophenyl)methyl]-N-[1-(4-chlorophenyl)propyl]-6-oxopyridine-3-carboxamide
CID 16602961

Frequently Asked Questions

What is the IUPAC name of N'-benzoyl-1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carbohydrazide?
The IUPAC name of N'-benzoyl-1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carbohydrazide (CID 24546266) is N'-benzoyl-1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carbohydrazide.
What is the SMILES notation for N'-benzoyl-1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carbohydrazide?
The canonical SMILES for N'-benzoyl-1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carbohydrazide is O=C(NNC(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1)c1ccccc1.
What is the InChIKey of N'-benzoyl-1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carbohydrazide?
The InChIKey is GEFXZNCLCCAYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O3/c21-17-9-5-4-8-15(17)12-24-13-16(10-11-18(24)25)20(27)23-22-19(26)14-6-2-1-3-7-14/h1-11,13H,12H2,(H,22,26)(H,23,27).
What are the key properties of N'-benzoyl-1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carbohydrazide?
N'-benzoyl-1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carbohydrazide has a molecular weight of 381.82 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzoyl-1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carbohydrazide is sourced from PubChem (CID 24546266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).