N'-(2-carbamoylphenyl)-N-(pyridin-2-ylmethyl)oxamide

C15H14N4O3 — CID 108518371

IUPACN'-(2-carbamoylphenyl)-N-(pyridin-2-ylmethyl)oxamide
SMILESNC(=O)c1ccccc1NC(=O)C(=O)NCc1ccccn1
InChIInChI=1S/C15H14N4O3/c16-13(20)11-6-1-2-7-12(11)19-15(22)14(21)18-9-10-5-3-4-8-17-10/h1-8H,9H2,(H2,16,20)(H,18,21)(H,19,22)
InChIKeyDNPWAAJAWHISIS-UHFFFAOYSA-N
MW298.30 g/mol
LogP0.44
Rot. Bonds4

About N'-(2-carbamoylphenyl)-N-(pyridin-2-ylmethyl)oxamide

N'-(2-carbamoylphenyl)-N-(pyridin-2-ylmethyl)oxamide (PubChem CID 108518371) has the molecular formula C15H14N4O3 and a molecular weight of 298.30 g/mol. Its IUPAC name is N'-(2-carbamoylphenyl)-N-(pyridin-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-(2-carbamoylphenyl)-N-(pyridin-2-ylmethyl)oxamide
PubChem CID108518371
Molecular FormulaC15H14N4O3
Molecular Weight298.30 g/mol
Exact Mass298.11
IUPAC NameN'-(2-carbamoylphenyl)-N-(pyridin-2-ylmethyl)oxamide
SMILESNC(=O)c1ccccc1NC(=O)C(=O)NCc1ccccn1
InChIInChI=1S/C15H14N4O3/c16-13(20)11-6-1-2-7-12(11)19-15(22)14(21)18-9-10-5-3-4-8-17-10/h1-8H,9H2,(H2,16,20)(H,18,21)(H,19,22)
InChIKeyDNPWAAJAWHISIS-UHFFFAOYSA-N
XLogP0.44
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[[2-oxo-2-(pyridin-2-ylmethylamino)acetyl]amino]benzoate
CID 108501782
N'-(2-tert-butylphenyl)-N-(pyridin-2-ylmethyl)oxamide
CID 86919838
2-acetamido-N-(pyridin-2-ylmethyl)benzamide
CID 783556
N'-(2-amino-4-methylphenyl)-N-(pyridin-2-ylmethyl)oxamide
CID 108518419
N-(2-aminoethyl)-N'-(pyridin-2-ylmethyl)oxamide
CID 43315841
N'-(2,4-dichlorophenyl)-N-(pyridin-2-ylmethyl)oxamide
CID 108502784
N-benzyl-N'-(pyridin-2-ylmethyl)oxamide
CID 3109924
2-(2-pyridin-2-ylethylamino)benzamide
CID 70453940
N'-(4-chloro-2,5-dimethoxyphenyl)-N-(pyridin-2-ylmethyl)oxamide
CID 2259133
N'-(2,6-diethylphenyl)-N-(pyridin-2-ylmethyl)oxamide
CID 108511400
2-(2,2-dimethylpropanoylamino)-N-(pyridin-2-ylmethyl)benzamide
CID 134110201
2-[(2-bromobenzoyl)amino]-N-(pyridin-2-ylmethyl)benzamide
CID 26549863

Frequently Asked Questions

What is the IUPAC name of N'-(2-carbamoylphenyl)-N-(pyridin-2-ylmethyl)oxamide?
The IUPAC name of N'-(2-carbamoylphenyl)-N-(pyridin-2-ylmethyl)oxamide (CID 108518371) is N'-(2-carbamoylphenyl)-N-(pyridin-2-ylmethyl)oxamide.
What is the SMILES notation for N'-(2-carbamoylphenyl)-N-(pyridin-2-ylmethyl)oxamide?
The canonical SMILES for N'-(2-carbamoylphenyl)-N-(pyridin-2-ylmethyl)oxamide is NC(=O)c1ccccc1NC(=O)C(=O)NCc1ccccn1.
What is the InChIKey of N'-(2-carbamoylphenyl)-N-(pyridin-2-ylmethyl)oxamide?
The InChIKey is DNPWAAJAWHISIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3/c16-13(20)11-6-1-2-7-12(11)19-15(22)14(21)18-9-10-5-3-4-8-17-10/h1-8H,9H2,(H2,16,20)(H,18,21)(H,19,22).
What are the key properties of N'-(2-carbamoylphenyl)-N-(pyridin-2-ylmethyl)oxamide?
N'-(2-carbamoylphenyl)-N-(pyridin-2-ylmethyl)oxamide has a molecular weight of 298.30 g/mol, XLogP of 0.44, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-carbamoylphenyl)-N-(pyridin-2-ylmethyl)oxamide is sourced from PubChem (CID 108518371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).