N'-(3H-benzimidazol-5-yl)-N-(pyridin-3-ylmethyl)oxamide

C15H13N5O2 — CID 108506743

IUPACN'-(3H-benzimidazol-5-yl)-N-(pyridin-3-ylmethyl)oxamide
SMILESO=C(NCc1cccnc1)C(=O)Nc1ccc2nc[nH]c2c1
InChIInChI=1S/C15H13N5O2/c21-14(17-8-10-2-1-5-16-7-10)15(22)20-11-3-4-12-13(6-11)19-9-18-12/h1-7,9H,8H2,(H,17,21)(H,18,19)(H,20,22)
InChIKeyHEJYXEFNORAKPF-UHFFFAOYSA-N
MW295.30 g/mol
LogP1.21
Rot. Bonds3

About N'-(3H-benzimidazol-5-yl)-N-(pyridin-3-ylmethyl)oxamide

N'-(3H-benzimidazol-5-yl)-N-(pyridin-3-ylmethyl)oxamide (PubChem CID 108506743) has the molecular formula C15H13N5O2 and a molecular weight of 295.30 g/mol. Its IUPAC name is N'-(3H-benzimidazol-5-yl)-N-(pyridin-3-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-(3H-benzimidazol-5-yl)-N-(pyridin-3-ylmethyl)oxamide
PubChem CID108506743
Molecular FormulaC15H13N5O2
Molecular Weight295.30 g/mol
Exact Mass295.11
IUPAC NameN'-(3H-benzimidazol-5-yl)-N-(pyridin-3-ylmethyl)oxamide
SMILESO=C(NCc1cccnc1)C(=O)Nc1ccc2nc[nH]c2c1
InChIInChI=1S/C15H13N5O2/c21-14(17-8-10-2-1-5-16-7-10)15(22)20-11-3-4-12-13(6-11)19-9-18-12/h1-7,9H,8H2,(H,17,21)(H,18,19)(H,20,22)
InChIKeyHEJYXEFNORAKPF-UHFFFAOYSA-N
XLogP1.21
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 51.21
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

N'-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)oxamide
CID 2244301
N-methyl-N-(pyridin-3-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 43397556
N-(3H-benzimidazol-5-yl)-N'-quinolin-8-yloxamide
CID 108529264
N'-(3H-benzimidazol-5-yl)-N-[2-(4-sulfamoylphenyl)ethyl]oxamide
CID 108529242
N-(pyridin-3-ylmethyl)-N-[3-(pyridin-4-ylmethylamino)phenyl]-3H-benzimidazole-5-carboxamide
CID 67011242
3H-benzimidazol-5-ylcarbamothioic S-acid
CID 115169734
N-(3H-benzimidazol-5-yl)-N'-benzyl-N'-ethyloxamide
CID 108523245
N-(3H-benzimidazol-5-yl)prop-2-enamide
CID 4318258
N'-(2-hydroxy-5-methylphenyl)-N-(pyridin-3-ylmethyl)oxamide
CID 108506700
N-(pyridin-3-ylmethyl)-N'-[4-(1,2,4-triazol-1-yl)phenyl]oxamide
CID 86995384
N'-(pyridine-3-carbonyl)-3H-benzimidazole-5-carbohydrazide
CID 4827071
N-(2-hydroxyethyl)-N'-(pyridin-3-ylmethyl)oxamide
CID 3136535

Frequently Asked Questions

What is the IUPAC name of N'-(3H-benzimidazol-5-yl)-N-(pyridin-3-ylmethyl)oxamide?
The IUPAC name of N'-(3H-benzimidazol-5-yl)-N-(pyridin-3-ylmethyl)oxamide (CID 108506743) is N'-(3H-benzimidazol-5-yl)-N-(pyridin-3-ylmethyl)oxamide.
What is the SMILES notation for N'-(3H-benzimidazol-5-yl)-N-(pyridin-3-ylmethyl)oxamide?
The canonical SMILES for N'-(3H-benzimidazol-5-yl)-N-(pyridin-3-ylmethyl)oxamide is O=C(NCc1cccnc1)C(=O)Nc1ccc2nc[nH]c2c1.
What is the InChIKey of N'-(3H-benzimidazol-5-yl)-N-(pyridin-3-ylmethyl)oxamide?
The InChIKey is HEJYXEFNORAKPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O2/c21-14(17-8-10-2-1-5-16-7-10)15(22)20-11-3-4-12-13(6-11)19-9-18-12/h1-7,9H,8H2,(H,17,21)(H,18,19)(H,20,22).
What are the key properties of N'-(3H-benzimidazol-5-yl)-N-(pyridin-3-ylmethyl)oxamide?
N'-(3H-benzimidazol-5-yl)-N-(pyridin-3-ylmethyl)oxamide has a molecular weight of 295.30 g/mol, XLogP of 1.21, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3H-benzimidazol-5-yl)-N-(pyridin-3-ylmethyl)oxamide is sourced from PubChem (CID 108506743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).