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

C13H12N4O3 — CID 102977040

IUPAC2-amino-N-(5-methyl-3-pyridinyl)-5-nitrobenzamide
SMILESCc1cncc(NC(=O)c2cc([N+](=O)[O-])ccc2N)c1
InChIInChI=1S/C13H12N4O3/c1-8-4-9(7-15-6-8)16-13(18)11-5-10(17(19)20)2-3-12(11)14/h2-7H,14H2,1H3,(H,16,18)
InChIKeyJIZPIJKMQDNUCF-UHFFFAOYSA-N
MW272.26 g/mol
LogP2.13
Rot. Bonds3

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

2-amino-N-(5-methyl-3-pyridinyl)-5-nitrobenzamide (PubChem CID 102977040) has the molecular formula C13H12N4O3 and a molecular weight of 272.26 g/mol. Its IUPAC name is 2-amino-N-(5-methyl-3-pyridinyl)-5-nitrobenzamide.

Molecular Properties

Compound Name2-amino-N-(5-methyl-3-pyridinyl)-5-nitrobenzamide
PubChem CID102977040
Molecular FormulaC13H12N4O3
Molecular Weight272.26 g/mol
Exact Mass272.09
IUPAC Name2-amino-N-(5-methyl-3-pyridinyl)-5-nitrobenzamide
SMILESCc1cncc(NC(=O)c2cc([N+](=O)[O-])ccc2N)c1
InChIInChI=1S/C13H12N4O3/c1-8-4-9(7-15-6-8)16-13(18)11-5-10(17(19)20)2-3-12(11)14/h2-7H,14H2,1H3,(H,16,18)
InChIKeyJIZPIJKMQDNUCF-UHFFFAOYSA-N
XLogP2.13
TPSA111.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 52.13
H-Bond Donors ≤ 52
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

5-(methylamino)-N-(5-methyl-3-pyridinyl)-2-nitrobenzamide
CID 107586666
5-fluoro-N-(5-methyl-3-pyridinyl)-2-nitrobenzamide
CID 103738999
2-amino-N-(3,5-dichlorophenyl)-5-nitrobenzamide
CID 62152532
2-amino-N-(5-methyl-3-pyridinyl)-5-nitrobenzenesulfonamide
CID 107586582
2-(methylamino)-N-(5-methyl-3-pyridinyl)-3-nitrobenzamide
CID 104773290
4-amino-N-(4-nitrophenyl)pyridine-3-carboxamide
CID 81236039
N-(4-aminophenyl)-2-methyl-5-nitrobenzamide
CID 63214788
2-amino-N-(3-bromophenyl)-5-nitrobenzamide
CID 62156590
4-amino-N-(3-nitrophenyl)pyridine-3-carboxamide
CID 81235802
2-amino-N-(5-bromo-2-pyridinyl)-5-nitrobenzamide
CID 62155081
N-(3,5-dimethylphenyl)-2-(methylamino)-5-nitrobenzamide
CID 24531986
2-hydrazinyl-N-(4-methylphenyl)-5-nitrobenzamide
CID 62241799

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-methyl-3-pyridinyl)-5-nitrobenzamide?
The IUPAC name of 2-amino-N-(5-methyl-3-pyridinyl)-5-nitrobenzamide (CID 102977040) is 2-amino-N-(5-methyl-3-pyridinyl)-5-nitrobenzamide.
What is the SMILES notation for 2-amino-N-(5-methyl-3-pyridinyl)-5-nitrobenzamide?
The canonical SMILES for 2-amino-N-(5-methyl-3-pyridinyl)-5-nitrobenzamide is Cc1cncc(NC(=O)c2cc([N+](=O)[O-])ccc2N)c1.
What is the InChIKey of 2-amino-N-(5-methyl-3-pyridinyl)-5-nitrobenzamide?
The InChIKey is JIZPIJKMQDNUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O3/c1-8-4-9(7-15-6-8)16-13(18)11-5-10(17(19)20)2-3-12(11)14/h2-7H,14H2,1H3,(H,16,18).
What are the key properties of 2-amino-N-(5-methyl-3-pyridinyl)-5-nitrobenzamide?
2-amino-N-(5-methyl-3-pyridinyl)-5-nitrobenzamide has a molecular weight of 272.26 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5-methyl-3-pyridinyl)-5-nitrobenzamide is sourced from PubChem (CID 102977040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).