2-amino-N-methyl-5-nitro-N-pyridin-4-ylbenzamide

C13H12N4O3 — CID 106937177

IUPAC2-amino-N-methyl-5-nitro-N-pyridin-4-ylbenzamide
SMILESCN(C(=O)c1cc([N+](=O)[O-])ccc1N)c1ccncc1
InChIInChI=1S/C13H12N4O3/c1-16(9-4-6-15-7-5-9)13(18)11-8-10(17(19)20)2-3-12(11)14/h2-8H,14H2,1H3
InChIKeyXKEWXMWBDOEPTQ-UHFFFAOYSA-N
MW272.26 g/mol
LogP1.85
Rot. Bonds3

About 2-amino-N-methyl-5-nitro-N-pyridin-4-ylbenzamide

2-amino-N-methyl-5-nitro-N-pyridin-4-ylbenzamide (PubChem CID 106937177) has the molecular formula C13H12N4O3 and a molecular weight of 272.26 g/mol. Its IUPAC name is 2-amino-N-methyl-5-nitro-N-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name2-amino-N-methyl-5-nitro-N-pyridin-4-ylbenzamide
PubChem CID106937177
Molecular FormulaC13H12N4O3
Molecular Weight272.26 g/mol
Exact Mass272.09
IUPAC Name2-amino-N-methyl-5-nitro-N-pyridin-4-ylbenzamide
SMILESCN(C(=O)c1cc([N+](=O)[O-])ccc1N)c1ccncc1
InChIInChI=1S/C13H12N4O3/c1-16(9-4-6-15-7-5-9)13(18)11-8-10(17(19)20)2-3-12(11)14/h2-8H,14H2,1H3
InChIKeyXKEWXMWBDOEPTQ-UHFFFAOYSA-N
XLogP1.85
TPSA102.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(2-fluorophenyl)-N-methyl-5-nitrobenzamide
CID 62161761
3-amino-2-bromo-N-methyl-N-pyridin-4-ylbenzamide
CID 106934244
2-amino-N-methyl-N-(2-methylpropyl)-5-nitrobenzamide
CID 62155970
2-amino-4-chloro-N-methyl-N-pyridin-4-ylbenzamide
CID 106934198
2-chloro-N-methyl-3-nitro-N-pyridin-4-ylpyridine-4-carboxamide
CID 106934906
2-chloro-N-methyl-4-nitro-N-phenylbenzamide
CID 799115
2-amino-N-[2-(dimethylamino)ethyl]-5-nitro-N-propylbenzamide
CID 62161614
potassium 2-amino-5-nitrobenzoate
CID 171152190
2-amino-N,N-bis(cyanomethyl)-5-nitrobenzamide
CID 62153028
2-chloro-N-methyl-5-nitro-N-(pyridin-4-ylmethyl)benzamide
CID 43564505
[(2S)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-amino-5-nitrobenzoate
CID 7990173
2-amino-N-(2-hydroxyethyl)-5-nitro-N-propan-2-ylbenzamide
CID 62186189

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-5-nitro-N-pyridin-4-ylbenzamide?
The IUPAC name of 2-amino-N-methyl-5-nitro-N-pyridin-4-ylbenzamide (CID 106937177) is 2-amino-N-methyl-5-nitro-N-pyridin-4-ylbenzamide.
What is the SMILES notation for 2-amino-N-methyl-5-nitro-N-pyridin-4-ylbenzamide?
The canonical SMILES for 2-amino-N-methyl-5-nitro-N-pyridin-4-ylbenzamide is CN(C(=O)c1cc([N+](=O)[O-])ccc1N)c1ccncc1.
What is the InChIKey of 2-amino-N-methyl-5-nitro-N-pyridin-4-ylbenzamide?
The InChIKey is XKEWXMWBDOEPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O3/c1-16(9-4-6-15-7-5-9)13(18)11-8-10(17(19)20)2-3-12(11)14/h2-8H,14H2,1H3.
What are the key properties of 2-amino-N-methyl-5-nitro-N-pyridin-4-ylbenzamide?
2-amino-N-methyl-5-nitro-N-pyridin-4-ylbenzamide has a molecular weight of 272.26 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-5-nitro-N-pyridin-4-ylbenzamide is sourced from PubChem (CID 106937177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).