N'-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)oxamide

C14H12ClN3O2 — CID 2244301

IUPACN'-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)oxamide
SMILESO=C(NCc1cccnc1)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C14H12ClN3O2/c15-11-3-5-12(6-4-11)18-14(20)13(19)17-9-10-2-1-7-16-8-10/h1-8H,9H2,(H,17,19)(H,18,20)
InChIKeyWGRAJHIAWCRENX-UHFFFAOYSA-N
MW289.72 g/mol
LogP1.99
Rot. Bonds3

About N'-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)oxamide

N'-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)oxamide (PubChem CID 2244301) has the molecular formula C14H12ClN3O2 and a molecular weight of 289.72 g/mol. Its IUPAC name is N'-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)oxamide
PubChem CID2244301
Molecular FormulaC14H12ClN3O2
Molecular Weight289.72 g/mol
Exact Mass289.06
IUPAC NameN'-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)oxamide
SMILESO=C(NCc1cccnc1)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C14H12ClN3O2/c15-11-3-5-12(6-4-11)18-14(20)13(19)17-9-10-2-1-7-16-8-10/h1-8H,9H2,(H,17,19)(H,18,20)
InChIKeyWGRAJHIAWCRENX-UHFFFAOYSA-N
XLogP1.99
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.72
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-(2,4-dichlorophenyl)-N-(pyridin-3-ylmethyl)oxamide
CID 2818710
N-(pyridin-3-ylmethyl)-N'-[4-(1,2,4-triazol-1-yl)phenyl]oxamide
CID 86995384
(Z)-3-(4-chloroanilino)-2-cyano-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 108837382
(2S)-2-[(4-chlorophenyl)carbamoylamino]-3-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 110348871
N'-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(pyridin-3-ylmethyl)oxamide
CID 51044362
N'-[(2-chlorophenyl)methyl]-N-(pyridin-3-ylmethyl)oxamide
CID 44998655
N-(2-hydroxyethyl)-N'-(pyridin-3-ylmethyl)oxamide
CID 3136535
5-[(4-chlorophenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109190073
N'-(3H-benzimidazol-5-yl)-N-(pyridin-3-ylmethyl)oxamide
CID 108506743
N-(4-chlorophenyl)-N'-cyclopropyl-N'-(pyridin-3-ylmethyl)oxamide
CID 75493389
4-(4-chloroanilino)-4-oxo-2-(pyridin-3-ylmethylamino)butanoic acid
CID 4278210
(3R)-4-(4-chloroanilino)-4-oxo-3-(pyridin-3-ylmethylamino)butanoic acid
CID 945429

Frequently Asked Questions

What is the IUPAC name of N'-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)oxamide?
The IUPAC name of N'-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)oxamide (CID 2244301) is N'-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)oxamide.
What is the SMILES notation for N'-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)oxamide?
The canonical SMILES for N'-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)oxamide is O=C(NCc1cccnc1)C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N'-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)oxamide?
The InChIKey is WGRAJHIAWCRENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O2/c15-11-3-5-12(6-4-11)18-14(20)13(19)17-9-10-2-1-7-16-8-10/h1-8H,9H2,(H,17,19)(H,18,20).
What are the key properties of N'-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)oxamide?
N'-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)oxamide has a molecular weight of 289.72 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)oxamide is sourced from PubChem (CID 2244301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).