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

C15H15N3O2 — CID 3109924

IUPACN-benzyl-N'-(pyridin-2-ylmethyl)oxamide
SMILESO=C(NCc1ccccc1)C(=O)NCc1ccccn1
InChIInChI=1S/C15H15N3O2/c19-14(17-10-12-6-2-1-3-7-12)15(20)18-11-13-8-4-5-9-16-13/h1-9H,10-11H2,(H,17,19)(H,18,20)
InChIKeyARZHYMHNHLSUQW-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.01
Rot. Bonds4

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

N-benzyl-N'-(pyridin-2-ylmethyl)oxamide (PubChem CID 3109924) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is N-benzyl-N'-(pyridin-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN-benzyl-N'-(pyridin-2-ylmethyl)oxamide
PubChem CID3109924
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC NameN-benzyl-N'-(pyridin-2-ylmethyl)oxamide
SMILESO=C(NCc1ccccc1)C(=O)NCc1ccccn1
InChIInChI=1S/C15H15N3O2/c19-14(17-10-12-6-2-1-3-7-12)15(20)18-11-13-8-4-5-9-16-13/h1-9H,10-11H2,(H,17,19)(H,18,20)
InChIKeyARZHYMHNHLSUQW-UHFFFAOYSA-N
XLogP1.01
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-benzyl-N-(2-pyridin-2-ylethyl)oxamide;ethane
CID 90877538
N'-(pyridin-2-ylmethyl)-N-[2-(pyridin-2-ylmethylamino)ethyl]oxamide
CID 71676617
N-(2-aminoethyl)-N'-(pyridin-2-ylmethyl)oxamide
CID 43315841
N'-(pyridin-2-ylmethyl)-N-(pyridin-4-ylmethyl)propanediamide
CID 108947438
2-(hydroxyamino)-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 3676320
2-methyl-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 142012577
1-[(4-bromophenyl)methyl]-3-(pyridin-2-ylmethyl)urea
CID 108899435
N'-(1-phenylethyl)-N-(pyridin-2-ylmethyl)oxamide
CID 3136532
pyridin-2-ylmethylcarbamothioic S-acid
CID 22756402
N-[(4-fluorophenyl)methyl]-N'-(pyridin-2-ylmethyl)propanediamide
CID 108946374
N'-anthracen-9-yl-N-(pyridin-2-ylmethyl)oxamide
CID 166445054
N'-cyclohexyl-N-(pyridin-2-ylmethyl)oxamide
CID 2844203

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N'-(pyridin-2-ylmethyl)oxamide?
The IUPAC name of N-benzyl-N'-(pyridin-2-ylmethyl)oxamide (CID 3109924) is N-benzyl-N'-(pyridin-2-ylmethyl)oxamide.
What is the SMILES notation for N-benzyl-N'-(pyridin-2-ylmethyl)oxamide?
The canonical SMILES for N-benzyl-N'-(pyridin-2-ylmethyl)oxamide is O=C(NCc1ccccc1)C(=O)NCc1ccccn1.
What is the InChIKey of N-benzyl-N'-(pyridin-2-ylmethyl)oxamide?
The InChIKey is ARZHYMHNHLSUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c19-14(17-10-12-6-2-1-3-7-12)15(20)18-11-13-8-4-5-9-16-13/h1-9H,10-11H2,(H,17,19)(H,18,20).
What are the key properties of N-benzyl-N'-(pyridin-2-ylmethyl)oxamide?
N-benzyl-N'-(pyridin-2-ylmethyl)oxamide has a molecular weight of 269.30 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N'-(pyridin-2-ylmethyl)oxamide is sourced from PubChem (CID 3109924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).