3-amino-N-(4-methyl-2-pyridinyl)-4-nitrobenzamide

C13H12N4O3 — CID 62682844

IUPAC3-amino-N-(4-methyl-2-pyridinyl)-4-nitrobenzamide
SMILESCc1ccnc(NC(=O)c2ccc([N+](=O)[O-])c(N)c2)c1
InChIInChI=1S/C13H12N4O3/c1-8-4-5-15-12(6-8)16-13(18)9-2-3-11(17(19)20)10(14)7-9/h2-7H,14H2,1H3,(H,15,16,18)
InChIKeyPAVUKHDIVQQCDL-UHFFFAOYSA-N
MW272.26 g/mol
LogP2.13
Rot. Bonds3

About 3-amino-N-(4-methyl-2-pyridinyl)-4-nitrobenzamide

3-amino-N-(4-methyl-2-pyridinyl)-4-nitrobenzamide (PubChem CID 62682844) has the molecular formula C13H12N4O3 and a molecular weight of 272.26 g/mol. Its IUPAC name is 3-amino-N-(4-methyl-2-pyridinyl)-4-nitrobenzamide.

Molecular Properties

Compound Name3-amino-N-(4-methyl-2-pyridinyl)-4-nitrobenzamide
PubChem CID62682844
Molecular FormulaC13H12N4O3
Molecular Weight272.26 g/mol
Exact Mass272.09
IUPAC Name3-amino-N-(4-methyl-2-pyridinyl)-4-nitrobenzamide
SMILESCc1ccnc(NC(=O)c2ccc([N+](=O)[O-])c(N)c2)c1
InChIInChI=1S/C13H12N4O3/c1-8-4-5-15-12(6-8)16-13(18)9-2-3-11(17(19)20)10(14)7-9/h2-7H,14H2,1H3,(H,15,16,18)
InChIKeyPAVUKHDIVQQCDL-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

4-(dimethylamino)-N-(4-methyl-2-pyridinyl)-3-nitrobenzamide
CID 35027996
4-methoxy-N-(4-methyl-2-pyridinyl)-3-nitrobenzamide
CID 739661
4-amino-3-hydroxy-N-(4-methyl-2-pyridinyl)benzamide
CID 107073933
3-amino-N-(2-fluoro-4-methylphenyl)-4-nitrobenzamide
CID 62682826
3-amino-4-nitro-N-pyridin-4-ylbenzamide
CID 62681915
3-amino-N-(3-methyl-4-pyridinyl)-4-nitrobenzamide
CID 63670887
3-amino-N-(2-methylphenyl)-4-nitrobenzamide
CID 62682473
3-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-nitrobenzamide
CID 62681392
4-iodo-N-(4-methyl-2-pyridinyl)benzamide
CID 21204751
2-chloro-N-(4-methyl-2-pyridinyl)-3,5-dinitrobenzamide
CID 4629189
3-amino-N-(3,4-dichlorophenyl)-4-nitrobenzamide
CID 62680652
3-amino-N-(4-fluorophenyl)-4-nitrobenzamide
CID 62681564

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-methyl-2-pyridinyl)-4-nitrobenzamide?
The IUPAC name of 3-amino-N-(4-methyl-2-pyridinyl)-4-nitrobenzamide (CID 62682844) is 3-amino-N-(4-methyl-2-pyridinyl)-4-nitrobenzamide.
What is the SMILES notation for 3-amino-N-(4-methyl-2-pyridinyl)-4-nitrobenzamide?
The canonical SMILES for 3-amino-N-(4-methyl-2-pyridinyl)-4-nitrobenzamide is Cc1ccnc(NC(=O)c2ccc([N+](=O)[O-])c(N)c2)c1.
What is the InChIKey of 3-amino-N-(4-methyl-2-pyridinyl)-4-nitrobenzamide?
The InChIKey is PAVUKHDIVQQCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O3/c1-8-4-5-15-12(6-8)16-13(18)9-2-3-11(17(19)20)10(14)7-9/h2-7H,14H2,1H3,(H,15,16,18).
What are the key properties of 3-amino-N-(4-methyl-2-pyridinyl)-4-nitrobenzamide?
3-amino-N-(4-methyl-2-pyridinyl)-4-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 3-amino-N-(4-methyl-2-pyridinyl)-4-nitrobenzamide is sourced from PubChem (CID 62682844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).