N-[(3-chlorophenyl)methyl]-N'-(4-oxo-1H-pyridin-3-yl)oxamide

C14H12ClN3O3 — CID 51044918

IUPACN-[(3-chlorophenyl)methyl]-N'-(4-oxo-1H-pyridin-3-yl)oxamide
SMILESO=C(NCc1cccc(Cl)c1)C(=O)Nc1c[nH]ccc1=O
InChIInChI=1S/C14H12ClN3O3/c15-10-3-1-2-9(6-10)7-17-13(20)14(21)18-11-8-16-5-4-12(11)19/h1-6,8H,7H2,(H,16,19)(H,17,20)(H,18,21)
InChIKeyMXLVAMRHASRZBB-UHFFFAOYSA-N
MW305.72 g/mol
LogP1.28
Rot. Bonds3

About N-[(3-chlorophenyl)methyl]-N'-(4-oxo-1H-pyridin-3-yl)oxamide

N-[(3-chlorophenyl)methyl]-N'-(4-oxo-1H-pyridin-3-yl)oxamide (PubChem CID 51044918) has the molecular formula C14H12ClN3O3 and a molecular weight of 305.72 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-N'-(4-oxo-1H-pyridin-3-yl)oxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-N'-(4-oxo-1H-pyridin-3-yl)oxamide
PubChem CID51044918
Molecular FormulaC14H12ClN3O3
Molecular Weight305.72 g/mol
Exact Mass305.06
IUPAC NameN-[(3-chlorophenyl)methyl]-N'-(4-oxo-1H-pyridin-3-yl)oxamide
SMILESO=C(NCc1cccc(Cl)c1)C(=O)Nc1c[nH]ccc1=O
InChIInChI=1S/C14H12ClN3O3/c15-10-3-1-2-9(6-10)7-17-13(20)14(21)18-11-8-16-5-4-12(11)19/h1-6,8H,7H2,(H,16,19)(H,17,20)(H,18,21)
InChIKeyMXLVAMRHASRZBB-UHFFFAOYSA-N
XLogP1.28
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.72
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-acetamido-2-methylphenyl)-N-[(3-chlorophenyl)methyl]oxamide
CID 86995475
2-(3-chlorophenyl)-N-(1H-pyrrol-3-ylmethyl)acetamide
CID 110782736
N'-(5-chloro-2-methoxyphenyl)-N-[(3-methylphenyl)methyl]oxamide
CID 108984763
N-[2-(3-chlorophenyl)ethyl]-N'-[(4-fluorophenyl)methyl]oxamide
CID 108984928
N-[2-(3-chlorophenyl)ethyl]-N'-[(3-methylphenyl)methyl]oxamide
CID 108984728
N-[(3-chlorophenyl)methyl]propanamide
CID 17071125
1-[(3-chlorophenyl)methyl]-3-(2,6-dichlorophenyl)urea
CID 108898743
N-[[3-(aminomethyl)phenyl]methyl]-N'-(5-chloro-2-methoxyphenyl)oxamide
CID 108502199
3,4-bis[(3-chlorophenyl)methylamino]cyclobutane-1,2-dione
CID 167996876
3-[(3-chlorophenyl)methyl]-1,1-bis(2-hydroxyethyl)urea
CID 108898653
N-[2-(3-chlorophenyl)ethyl]-N'-(2-methylphenyl)oxamide
CID 108986517
N'-(3-chlorophenyl)-N-[(4-methylphenyl)methyl]oxamide
CID 2184173

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-N'-(4-oxo-1H-pyridin-3-yl)oxamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-N'-(4-oxo-1H-pyridin-3-yl)oxamide (CID 51044918) is N-[(3-chlorophenyl)methyl]-N'-(4-oxo-1H-pyridin-3-yl)oxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-N'-(4-oxo-1H-pyridin-3-yl)oxamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-N'-(4-oxo-1H-pyridin-3-yl)oxamide is O=C(NCc1cccc(Cl)c1)C(=O)Nc1c[nH]ccc1=O.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-N'-(4-oxo-1H-pyridin-3-yl)oxamide?
The InChIKey is MXLVAMRHASRZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O3/c15-10-3-1-2-9(6-10)7-17-13(20)14(21)18-11-8-16-5-4-12(11)19/h1-6,8H,7H2,(H,16,19)(H,17,20)(H,18,21).
What are the key properties of N-[(3-chlorophenyl)methyl]-N'-(4-oxo-1H-pyridin-3-yl)oxamide?
N-[(3-chlorophenyl)methyl]-N'-(4-oxo-1H-pyridin-3-yl)oxamide has a molecular weight of 305.72 g/mol, XLogP of 1.28, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-N'-(4-oxo-1H-pyridin-3-yl)oxamide is sourced from PubChem (CID 51044918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).