N'-(4-aminobenzoyl)-N-(pyridin-2-ylmethyl)oxamide

C15H14N4O3 — CID 108518379

IUPACN'-(4-aminobenzoyl)-N-(pyridin-2-ylmethyl)oxamide
SMILESNc1ccc(C(=O)NC(=O)C(=O)NCc2ccccn2)cc1
InChIInChI=1S/C15H14N4O3/c16-11-6-4-10(5-7-11)13(20)19-15(22)14(21)18-9-12-3-1-2-8-17-12/h1-8H,9,16H2,(H,18,21)(H,19,20,22)
InChIKeyVBRNZNSRLJYAOP-UHFFFAOYSA-N
MW298.30 g/mol
LogP0.24
Rot. Bonds3

About N'-(4-aminobenzoyl)-N-(pyridin-2-ylmethyl)oxamide

N'-(4-aminobenzoyl)-N-(pyridin-2-ylmethyl)oxamide (PubChem CID 108518379) has the molecular formula C15H14N4O3 and a molecular weight of 298.30 g/mol. Its IUPAC name is N'-(4-aminobenzoyl)-N-(pyridin-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-(4-aminobenzoyl)-N-(pyridin-2-ylmethyl)oxamide
PubChem CID108518379
Molecular FormulaC15H14N4O3
Molecular Weight298.30 g/mol
Exact Mass298.11
IUPAC NameN'-(4-aminobenzoyl)-N-(pyridin-2-ylmethyl)oxamide
SMILESNc1ccc(C(=O)NC(=O)C(=O)NCc2ccccn2)cc1
InChIInChI=1S/C15H14N4O3/c16-11-6-4-10(5-7-11)13(20)19-15(22)14(21)18-9-12-3-1-2-8-17-12/h1-8H,9,16H2,(H,18,21)(H,19,20,22)
InChIKeyVBRNZNSRLJYAOP-UHFFFAOYSA-N
XLogP0.24
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 50.24
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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Related Compounds

N-(2-aminoethyl)-N'-(pyridin-2-ylmethyl)oxamide
CID 43315841
N-benzyl-N'-(pyridin-2-ylmethyl)oxamide
CID 3109924
N'-(4-aminobenzoyl)-N-(furan-2-ylmethyl)oxamide
CID 108517686
N'-(pyridin-2-ylmethyl)-N-[2-(pyridin-2-ylmethylamino)ethyl]oxamide
CID 71676617
methyl 4-(pyridin-2-ylmethylcarbamoyl)benzoate
CID 9414602
4-(methylaminomethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 90338069
1-(4-aminophenyl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 115913218
4-amino-3-fluoro-N-(pyridin-2-ylmethyl)benzamide
CID 62678700
2-(hydroxyamino)-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 3676320
2-methyl-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 142012577
N-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]benzamide
CID 9414555
4-amino-N-(pyrazin-2-ylmethyl)benzamide
CID 110476278

Frequently Asked Questions

What is the IUPAC name of N'-(4-aminobenzoyl)-N-(pyridin-2-ylmethyl)oxamide?
The IUPAC name of N'-(4-aminobenzoyl)-N-(pyridin-2-ylmethyl)oxamide (CID 108518379) is N'-(4-aminobenzoyl)-N-(pyridin-2-ylmethyl)oxamide.
What is the SMILES notation for N'-(4-aminobenzoyl)-N-(pyridin-2-ylmethyl)oxamide?
The canonical SMILES for N'-(4-aminobenzoyl)-N-(pyridin-2-ylmethyl)oxamide is Nc1ccc(C(=O)NC(=O)C(=O)NCc2ccccn2)cc1.
What is the InChIKey of N'-(4-aminobenzoyl)-N-(pyridin-2-ylmethyl)oxamide?
The InChIKey is VBRNZNSRLJYAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3/c16-11-6-4-10(5-7-11)13(20)19-15(22)14(21)18-9-12-3-1-2-8-17-12/h1-8H,9,16H2,(H,18,21)(H,19,20,22).
What are the key properties of N'-(4-aminobenzoyl)-N-(pyridin-2-ylmethyl)oxamide?
N'-(4-aminobenzoyl)-N-(pyridin-2-ylmethyl)oxamide has a molecular weight of 298.30 g/mol, XLogP of 0.24, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-aminobenzoyl)-N-(pyridin-2-ylmethyl)oxamide is sourced from PubChem (CID 108518379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).