N'-(2-aminobenzoyl)-N-(6-methyl-2-pyridinyl)oxamide

C15H14N4O3 — CID 108525721

IUPACN'-(2-aminobenzoyl)-N-(6-methyl-2-pyridinyl)oxamide
SMILESCc1cccc(NC(=O)C(=O)NC(=O)c2ccccc2N)n1
InChIInChI=1S/C15H14N4O3/c1-9-5-4-8-12(17-9)18-14(21)15(22)19-13(20)10-6-2-3-7-11(10)16/h2-8H,16H2,1H3,(H,17,18,21)(H,19,20,22)
InChIKeyZCRFUDYHRNBCSO-UHFFFAOYSA-N
MW298.30 g/mol
LogP0.87
Rot. Bonds2

About N'-(2-aminobenzoyl)-N-(6-methyl-2-pyridinyl)oxamide

N'-(2-aminobenzoyl)-N-(6-methyl-2-pyridinyl)oxamide (PubChem CID 108525721) has the molecular formula C15H14N4O3 and a molecular weight of 298.30 g/mol. Its IUPAC name is N'-(2-aminobenzoyl)-N-(6-methyl-2-pyridinyl)oxamide.

Molecular Properties

Compound NameN'-(2-aminobenzoyl)-N-(6-methyl-2-pyridinyl)oxamide
PubChem CID108525721
Molecular FormulaC15H14N4O3
Molecular Weight298.30 g/mol
Exact Mass298.11
IUPAC NameN'-(2-aminobenzoyl)-N-(6-methyl-2-pyridinyl)oxamide
SMILESCc1cccc(NC(=O)C(=O)NC(=O)c2ccccc2N)n1
InChIInChI=1S/C15H14N4O3/c1-9-5-4-8-12(17-9)18-14(21)15(22)19-13(20)10-6-2-3-7-11(10)16/h2-8H,16H2,1H3,(H,17,18,21)(H,19,20,22)
InChIKeyZCRFUDYHRNBCSO-UHFFFAOYSA-N
XLogP0.87
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(2-aminobenzoyl)-N-(6-methyl-2-pyridinyl)oxamide?
The IUPAC name of N'-(2-aminobenzoyl)-N-(6-methyl-2-pyridinyl)oxamide (CID 108525721) is N'-(2-aminobenzoyl)-N-(6-methyl-2-pyridinyl)oxamide.
What is the SMILES notation for N'-(2-aminobenzoyl)-N-(6-methyl-2-pyridinyl)oxamide?
The canonical SMILES for N'-(2-aminobenzoyl)-N-(6-methyl-2-pyridinyl)oxamide is Cc1cccc(NC(=O)C(=O)NC(=O)c2ccccc2N)n1.
What is the InChIKey of N'-(2-aminobenzoyl)-N-(6-methyl-2-pyridinyl)oxamide?
The InChIKey is ZCRFUDYHRNBCSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3/c1-9-5-4-8-12(17-9)18-14(21)15(22)19-13(20)10-6-2-3-7-11(10)16/h2-8H,16H2,1H3,(H,17,18,21)(H,19,20,22).
What are the key properties of N'-(2-aminobenzoyl)-N-(6-methyl-2-pyridinyl)oxamide?
N'-(2-aminobenzoyl)-N-(6-methyl-2-pyridinyl)oxamide has a molecular weight of 298.30 g/mol, XLogP of 0.87, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-aminobenzoyl)-N-(6-methyl-2-pyridinyl)oxamide is sourced from PubChem (CID 108525721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).