2-methyl-3-nitro-N-(pyridin-3-ylmethyl)benzamide

C14H13N3O3 — CID 691924

IUPAC2-methyl-3-nitro-N-(pyridin-3-ylmethyl)benzamide
SMILESCc1c(C(=O)NCc2cccnc2)cccc1[N+](=O)[O-]
InChIInChI=1S/C14H13N3O3/c1-10-12(5-2-6-13(10)17(19)20)14(18)16-9-11-4-3-7-15-8-11/h2-8H,9H2,1H3,(H,16,18)
InChIKeyWEGNHLAHXHRSMZ-UHFFFAOYSA-N
MW271.28 g/mol
LogP2.23
Rot. Bonds4

About 2-methyl-3-nitro-N-(pyridin-3-ylmethyl)benzamide

2-methyl-3-nitro-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 691924) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is 2-methyl-3-nitro-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name2-methyl-3-nitro-N-(pyridin-3-ylmethyl)benzamide
PubChem CID691924
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Name2-methyl-3-nitro-N-(pyridin-3-ylmethyl)benzamide
SMILESCc1c(C(=O)NCc2cccnc2)cccc1[N+](=O)[O-]
InChIInChI=1S/C14H13N3O3/c1-10-12(5-2-6-13(10)17(19)20)14(18)16-9-11-4-3-7-15-8-11/h2-8H,9H2,1H3,(H,16,18)
InChIKeyWEGNHLAHXHRSMZ-UHFFFAOYSA-N
XLogP2.23
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-methyl-3-nitro-N-(pyridin-3-ylmethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-2-methyl-3-nitrobenzamide
CID 710984
2-methyl-N-[[(2-methyl-3-nitrobenzoyl)amino]methyl]-3-nitrobenzamide
CID 134843322
N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3-nitrobenzamide
CID 17070151
3-methyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 110852100
N-(pyridin-3-ylmethyl)-2-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide
CID 1279662
4-methyl-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide
CID 110852055
2-amino-N-[(4-methyl-3-pyridinyl)methyl]-3-nitrobenzamide
CID 114957471
2-methyl-3-nitro-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]benzamide
CID 55953520
2-methylsulfonyl-N-(pyridin-3-ylmethyl)benzamide
CID 4670957
2-chloro-N-(pyridin-3-ylmethyl)benzamide
CID 669068
N-[(5-ethylthiophen-2-yl)methyl]-2-methyl-3-nitrobenzamide
CID 46466364
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-methyl-3-nitrobenzamide
CID 17499102

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-nitro-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 2-methyl-3-nitro-N-(pyridin-3-ylmethyl)benzamide (CID 691924) is 2-methyl-3-nitro-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 2-methyl-3-nitro-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 2-methyl-3-nitro-N-(pyridin-3-ylmethyl)benzamide is Cc1c(C(=O)NCc2cccnc2)cccc1[N+](=O)[O-].
What is the InChIKey of 2-methyl-3-nitro-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is WEGNHLAHXHRSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c1-10-12(5-2-6-13(10)17(19)20)14(18)16-9-11-4-3-7-15-8-11/h2-8H,9H2,1H3,(H,16,18).
What are the key properties of 2-methyl-3-nitro-N-(pyridin-3-ylmethyl)benzamide?
2-methyl-3-nitro-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 271.28 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-nitro-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 691924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).