5-(methylamino)-N-(5-methyl-3-pyridinyl)-2-nitrobenzamide

C14H14N4O3 — CID 107586666

IUPAC5-(methylamino)-N-(5-methyl-3-pyridinyl)-2-nitrobenzamide
SMILESCNc1ccc([N+](=O)[O-])c(C(=O)Nc2cncc(C)c2)c1
InChIInChI=1S/C14H14N4O3/c1-9-5-11(8-16-7-9)17-14(19)12-6-10(15-2)3-4-13(12)18(20)21/h3-8,15H,1-2H3,(H,17,19)
InChIKeyHPSNVJZURLRJJD-UHFFFAOYSA-N
MW286.29 g/mol
LogP2.59
Rot. Bonds4

About 5-(methylamino)-N-(5-methyl-3-pyridinyl)-2-nitrobenzamide

5-(methylamino)-N-(5-methyl-3-pyridinyl)-2-nitrobenzamide (PubChem CID 107586666) has the molecular formula C14H14N4O3 and a molecular weight of 286.29 g/mol. Its IUPAC name is 5-(methylamino)-N-(5-methyl-3-pyridinyl)-2-nitrobenzamide.

Molecular Properties

Compound Name5-(methylamino)-N-(5-methyl-3-pyridinyl)-2-nitrobenzamide
PubChem CID107586666
Molecular FormulaC14H14N4O3
Molecular Weight286.29 g/mol
Exact Mass286.11
IUPAC Name5-(methylamino)-N-(5-methyl-3-pyridinyl)-2-nitrobenzamide
SMILESCNc1ccc([N+](=O)[O-])c(C(=O)Nc2cncc(C)c2)c1
InChIInChI=1S/C14H14N4O3/c1-9-5-11(8-16-7-9)17-14(19)12-6-10(15-2)3-4-13(12)18(20)21/h3-8,15H,1-2H3,(H,17,19)
InChIKeyHPSNVJZURLRJJD-UHFFFAOYSA-N
XLogP2.59
TPSA97.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-N-(5-methyl-3-pyridinyl)-2-nitrobenzamide
CID 103738999
2-(methylamino)-N-(5-methyl-3-pyridinyl)-3-nitrobenzamide
CID 104773290
5-(methylamino)-N-(3-methyl-4-pyridinyl)-2-nitrobenzamide
CID 63672242
N-(4-fluorophenyl)-5-(methylamino)-2-nitrobenzamide
CID 62167428
5-(methylamino)-2-nitro-N-(1H-pyrazol-4-yl)benzamide
CID 62168858
2-amino-N-(5-methyl-3-pyridinyl)-5-nitrobenzamide
CID 102977040
5-(methylamino)-N-(5-methyl-1,2-oxazol-3-yl)-2-nitrobenzamide
CID 62167041
N-(3-fluoro-4-pyridinyl)-5-(methylamino)-2-nitrobenzamide
CID 107595456
N-(2-fluorophenyl)-5-(methylamino)-2-nitrobenzamide
CID 62166566
5-hydroxy-2-nitro-N-pyrimidin-5-ylbenzamide
CID 107588882
N-cyclopropyl-5-(methylamino)-2-nitrobenzamide
CID 62172017
5-hydrazinyl-N-(5-methyl-2-pyridinyl)-2-nitrobenzamide
CID 62238212

Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)-N-(5-methyl-3-pyridinyl)-2-nitrobenzamide?
The IUPAC name of 5-(methylamino)-N-(5-methyl-3-pyridinyl)-2-nitrobenzamide (CID 107586666) is 5-(methylamino)-N-(5-methyl-3-pyridinyl)-2-nitrobenzamide.
What is the SMILES notation for 5-(methylamino)-N-(5-methyl-3-pyridinyl)-2-nitrobenzamide?
The canonical SMILES for 5-(methylamino)-N-(5-methyl-3-pyridinyl)-2-nitrobenzamide is CNc1ccc([N+](=O)[O-])c(C(=O)Nc2cncc(C)c2)c1.
What is the InChIKey of 5-(methylamino)-N-(5-methyl-3-pyridinyl)-2-nitrobenzamide?
The InChIKey is HPSNVJZURLRJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3/c1-9-5-11(8-16-7-9)17-14(19)12-6-10(15-2)3-4-13(12)18(20)21/h3-8,15H,1-2H3,(H,17,19).
What are the key properties of 5-(methylamino)-N-(5-methyl-3-pyridinyl)-2-nitrobenzamide?
5-(methylamino)-N-(5-methyl-3-pyridinyl)-2-nitrobenzamide has a molecular weight of 286.29 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)-N-(5-methyl-3-pyridinyl)-2-nitrobenzamide is sourced from PubChem (CID 107586666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).