N-(2-carbamoylphenyl)-N'-(4-methyl-2-pyridinyl)oxamide

C15H14N4O3 — CID 108529456

IUPACN-(2-carbamoylphenyl)-N'-(4-methyl-2-pyridinyl)oxamide
SMILESCc1ccnc(NC(=O)C(=O)Nc2ccccc2C(N)=O)c1
InChIInChI=1S/C15H14N4O3/c1-9-6-7-17-12(8-9)19-15(22)14(21)18-11-5-3-2-4-10(11)13(16)20/h2-8H,1H3,(H2,16,20)(H,18,21)(H,17,19,22)
InChIKeyAGYWEVPMYGNPIA-UHFFFAOYSA-N
MW298.30 g/mol
LogP1.07
Rot. Bonds3

About N-(2-carbamoylphenyl)-N'-(4-methyl-2-pyridinyl)oxamide

N-(2-carbamoylphenyl)-N'-(4-methyl-2-pyridinyl)oxamide (PubChem CID 108529456) has the molecular formula C15H14N4O3 and a molecular weight of 298.30 g/mol. Its IUPAC name is N-(2-carbamoylphenyl)-N'-(4-methyl-2-pyridinyl)oxamide.

Molecular Properties

Compound NameN-(2-carbamoylphenyl)-N'-(4-methyl-2-pyridinyl)oxamide
PubChem CID108529456
Molecular FormulaC15H14N4O3
Molecular Weight298.30 g/mol
Exact Mass298.11
IUPAC NameN-(2-carbamoylphenyl)-N'-(4-methyl-2-pyridinyl)oxamide
SMILESCc1ccnc(NC(=O)C(=O)Nc2ccccc2C(N)=O)c1
InChIInChI=1S/C15H14N4O3/c1-9-6-7-17-12(8-9)19-15(22)14(21)18-11-5-3-2-4-10(11)13(16)20/h2-8H,1H3,(H2,16,20)(H,18,21)(H,17,19,22)
InChIKeyAGYWEVPMYGNPIA-UHFFFAOYSA-N
XLogP1.07
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-carbamoylphenyl)-N'-(4-methyl-2-pyridinyl)oxamide?
The IUPAC name of N-(2-carbamoylphenyl)-N'-(4-methyl-2-pyridinyl)oxamide (CID 108529456) is N-(2-carbamoylphenyl)-N'-(4-methyl-2-pyridinyl)oxamide.
What is the SMILES notation for N-(2-carbamoylphenyl)-N'-(4-methyl-2-pyridinyl)oxamide?
The canonical SMILES for N-(2-carbamoylphenyl)-N'-(4-methyl-2-pyridinyl)oxamide is Cc1ccnc(NC(=O)C(=O)Nc2ccccc2C(N)=O)c1.
What is the InChIKey of N-(2-carbamoylphenyl)-N'-(4-methyl-2-pyridinyl)oxamide?
The InChIKey is AGYWEVPMYGNPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3/c1-9-6-7-17-12(8-9)19-15(22)14(21)18-11-5-3-2-4-10(11)13(16)20/h2-8H,1H3,(H2,16,20)(H,18,21)(H,17,19,22).
What are the key properties of N-(2-carbamoylphenyl)-N'-(4-methyl-2-pyridinyl)oxamide?
N-(2-carbamoylphenyl)-N'-(4-methyl-2-pyridinyl)oxamide has a molecular weight of 298.30 g/mol, XLogP of 1.07, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamoylphenyl)-N'-(4-methyl-2-pyridinyl)oxamide is sourced from PubChem (CID 108529456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).