2-amino-N-oxo-3-(pyridin-2-ylmethyl)benzamide

C13H11N3O2 — CID 174567359

IUPAC2-amino-N-oxo-3-(pyridin-2-ylmethyl)benzamide
SMILESNc1c(Cc2ccccn2)cccc1C(=O)N=O
InChIInChI=1S/C13H11N3O2/c14-12-9(8-10-5-1-2-7-15-10)4-3-6-11(12)13(17)16-18/h1-7H,8,14H2
InChIKeyUJNLIUWBIRWEMY-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.16
Rot. Bonds3

About 2-amino-N-oxo-3-(pyridin-2-ylmethyl)benzamide

2-amino-N-oxo-3-(pyridin-2-ylmethyl)benzamide (PubChem CID 174567359) has the molecular formula C13H11N3O2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 2-amino-N-oxo-3-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-amino-N-oxo-3-(pyridin-2-ylmethyl)benzamide
PubChem CID174567359
Molecular FormulaC13H11N3O2
Molecular Weight241.25 g/mol
Exact Mass241.09
IUPAC Name2-amino-N-oxo-3-(pyridin-2-ylmethyl)benzamide
SMILESNc1c(Cc2ccccn2)cccc1C(=O)N=O
InChIInChI=1S/C13H11N3O2/c14-12-9(8-10-5-1-2-7-15-10)4-3-6-11(12)13(17)16-18/h1-7H,8,14H2
InChIKeyUJNLIUWBIRWEMY-UHFFFAOYSA-N
XLogP2.16
TPSA85.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

benzene-1,2-diamine;2-(pyridin-2-ylmethyl)phenol
CID 175372198
5-hydroxy-8-(pyridin-2-ylmethyl)-9H-carbazole-4-carboxamide
CID 67568148
4-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
CID 140674287
2-(3-pyridin-2-ylpropyl)benzamide
CID 173328031
4-fluoro-3-(pyridin-2-ylmethyl)benzoic acid
CID 107957284
2-(2-pyridin-2-ylethyl)benzoic acid;hydrochloride
CID 45075115
1,1-dioxo-4-(pyridin-2-ylmethyl)-1-benzothiophene-2-carboxamide
CID 70007729
2-amino-3-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 16787973
molecular hydrogen;2-pyridin-2-ylacetamide
CID 145224814
5-methyl-2-(pyridin-2-ylmethyl)benzoic acid
CID 81111725
N-oxo-2-phenylpyridine-3-carboxamide
CID 87566165
CID 131857449
CID 131857449

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-oxo-3-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 2-amino-N-oxo-3-(pyridin-2-ylmethyl)benzamide (CID 174567359) is 2-amino-N-oxo-3-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 2-amino-N-oxo-3-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 2-amino-N-oxo-3-(pyridin-2-ylmethyl)benzamide is Nc1c(Cc2ccccn2)cccc1C(=O)N=O.
What is the InChIKey of 2-amino-N-oxo-3-(pyridin-2-ylmethyl)benzamide?
The InChIKey is UJNLIUWBIRWEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2/c14-12-9(8-10-5-1-2-7-15-10)4-3-6-11(12)13(17)16-18/h1-7H,8,14H2.
What are the key properties of 2-amino-N-oxo-3-(pyridin-2-ylmethyl)benzamide?
2-amino-N-oxo-3-(pyridin-2-ylmethyl)benzamide has a molecular weight of 241.25 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-oxo-3-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 174567359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).