N-methyl-2-(pyridine-3-carboximidoyl)benzamide

C14H13N3O — CID 143221625

IUPACN-methyl-2-(pyridine-3-carboximidoyl)benzamide
SMILES[H]/N=C(\c1cccnc1)c1ccccc1C(=O)NC
InChIInChI=1S/C14H13N3O/c1-16-14(18)12-7-3-2-6-11(12)13(15)10-5-4-8-17-9-10/h2-9,15H,1H3,(H,16,18)/b15-13+
InChIKeyIJRFIKBUKOKSQS-FYWRMAATSA-N
MW239.28 g/mol
LogP1.86
Rot. Bonds3

About N-methyl-2-(pyridine-3-carboximidoyl)benzamide

N-methyl-2-(pyridine-3-carboximidoyl)benzamide (PubChem CID 143221625) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is N-methyl-2-(pyridine-3-carboximidoyl)benzamide.

Molecular Properties

Compound NameN-methyl-2-(pyridine-3-carboximidoyl)benzamide
PubChem CID143221625
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC NameN-methyl-2-(pyridine-3-carboximidoyl)benzamide
SMILES[H]/N=C(\c1cccnc1)c1ccccc1C(=O)NC
InChIInChI=1S/C14H13N3O/c1-16-14(18)12-7-3-2-6-11(12)13(15)10-5-4-8-17-9-10/h2-9,15H,1H3,(H,16,18)/b15-13+
InChIKeyIJRFIKBUKOKSQS-FYWRMAATSA-N
XLogP1.86
TPSA65.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4,5-dimethoxy-N-methyl-2-(pyridine-3-carboximidoyl)benzamide
CID 143438405
2-(pyridine-3-carboximidoyl)phenol
CID 168995056
N-methylpyridine-3-carboxamide chloride
CID 20976730
(3,4-dimethylphenyl)-pyridin-3-ylmethanimine
CID 22299343
trimethyl-(pyridine-3-carbonylamino)azanium
CID 177120197
2-(methylamino)-1-pyridin-3-ylprop-2-en-1-one
CID 141355230
(2-methoxyphenyl)-pyridin-3-ylmethanone
CID 18357321
5-chloro-2-[[3-(pyridine-3-carboximidoyl)benzoyl]amino]benzoic acid
CID 142865834
4-(methylcarbamoyl)pyridine-3-carboxylic acid
CID 130493888
1-phenyl-2-pyridin-3-ylethane-1,2-dione
CID 10987556
CID 131854915
CID 131854915
2-(pyridine-3-carboximidoyl)propanedinitrile
CID 7062251

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(pyridine-3-carboximidoyl)benzamide?
The IUPAC name of N-methyl-2-(pyridine-3-carboximidoyl)benzamide (CID 143221625) is N-methyl-2-(pyridine-3-carboximidoyl)benzamide.
What is the SMILES notation for N-methyl-2-(pyridine-3-carboximidoyl)benzamide?
The canonical SMILES for N-methyl-2-(pyridine-3-carboximidoyl)benzamide is [H]/N=C(\c1cccnc1)c1ccccc1C(=O)NC.
What is the InChIKey of N-methyl-2-(pyridine-3-carboximidoyl)benzamide?
The InChIKey is IJRFIKBUKOKSQS-FYWRMAATSA-N. The full InChI is InChI=1S/C14H13N3O/c1-16-14(18)12-7-3-2-6-11(12)13(15)10-5-4-8-17-9-10/h2-9,15H,1H3,(H,16,18)/b15-13+.
What are the key properties of N-methyl-2-(pyridine-3-carboximidoyl)benzamide?
N-methyl-2-(pyridine-3-carboximidoyl)benzamide has a molecular weight of 239.28 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(pyridine-3-carboximidoyl)benzamide is sourced from PubChem (CID 143221625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).