4-amino-6-methyl-N-(3-nitrophenyl)pyridine-3-carboxamide

C13H12N4O3 — CID 81235880

IUPAC4-amino-6-methyl-N-(3-nitrophenyl)pyridine-3-carboxamide
SMILESCc1cc(N)c(C(=O)Nc2cccc([N+](=O)[O-])c2)cn1
InChIInChI=1S/C13H12N4O3/c1-8-5-12(14)11(7-15-8)13(18)16-9-3-2-4-10(6-9)17(19)20/h2-7H,1H3,(H2,14,15)(H,16,18)
InChIKeyKTVHUTICJAJIDA-UHFFFAOYSA-N
MW272.26 g/mol
LogP2.13
Rot. Bonds3

About 4-amino-6-methyl-N-(3-nitrophenyl)pyridine-3-carboxamide

4-amino-6-methyl-N-(3-nitrophenyl)pyridine-3-carboxamide (PubChem CID 81235880) has the molecular formula C13H12N4O3 and a molecular weight of 272.26 g/mol. Its IUPAC name is 4-amino-6-methyl-N-(3-nitrophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-amino-6-methyl-N-(3-nitrophenyl)pyridine-3-carboxamide
PubChem CID81235880
Molecular FormulaC13H12N4O3
Molecular Weight272.26 g/mol
Exact Mass272.09
IUPAC Name4-amino-6-methyl-N-(3-nitrophenyl)pyridine-3-carboxamide
SMILESCc1cc(N)c(C(=O)Nc2cccc([N+](=O)[O-])c2)cn1
InChIInChI=1S/C13H12N4O3/c1-8-5-12(14)11(7-15-8)13(18)16-9-3-2-4-10(6-9)17(19)20/h2-7H,1H3,(H2,14,15)(H,16,18)
InChIKeyKTVHUTICJAJIDA-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': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-(3-nitrophenyl)pyridine-3-carboxamide
CID 81235802
4-amino-6-methyl-N-phenylpyridine-3-carboxamide
CID 81236063
4-amino-N-(3-iodophenyl)-6-methylpyridine-3-carboxamide
CID 81236350
4-amino-N-(2-fluoro-5-nitrophenyl)-6-methylpyridine-3-carboxamide
CID 81238388
4-methyl-N-(3-nitrophenyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 66504375
2,5-dimethyl-N-(3-nitrophenyl)thiophene-3-carboxamide
CID 16960210
2-amino-3-fluoro-N-(3-nitrophenyl)benzamide
CID 62650434
4-amino-6-methyl-N-(4-sulfamoylphenyl)pyridine-3-carboxamide
CID 81237472
4-amino-N-(2,6-dichlorophenyl)-6-methylpyridine-3-carboxamide
CID 81245380
2-amino-N-(3-bromophenyl)-5-nitrobenzamide
CID 62156590
4-amino-N-(3,4-dimethoxyphenyl)-6-methylpyridine-3-carboxamide
CID 81239196
2,5-dimethyl-N-(3-nitrophenyl)pyrazole-3-carboxamide
CID 16953136

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-methyl-N-(3-nitrophenyl)pyridine-3-carboxamide?
The IUPAC name of 4-amino-6-methyl-N-(3-nitrophenyl)pyridine-3-carboxamide (CID 81235880) is 4-amino-6-methyl-N-(3-nitrophenyl)pyridine-3-carboxamide.
What is the SMILES notation for 4-amino-6-methyl-N-(3-nitrophenyl)pyridine-3-carboxamide?
The canonical SMILES for 4-amino-6-methyl-N-(3-nitrophenyl)pyridine-3-carboxamide is Cc1cc(N)c(C(=O)Nc2cccc([N+](=O)[O-])c2)cn1.
What is the InChIKey of 4-amino-6-methyl-N-(3-nitrophenyl)pyridine-3-carboxamide?
The InChIKey is KTVHUTICJAJIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O3/c1-8-5-12(14)11(7-15-8)13(18)16-9-3-2-4-10(6-9)17(19)20/h2-7H,1H3,(H2,14,15)(H,16,18).
What are the key properties of 4-amino-6-methyl-N-(3-nitrophenyl)pyridine-3-carboxamide?
4-amino-6-methyl-N-(3-nitrophenyl)pyridine-3-carboxamide 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 4-amino-6-methyl-N-(3-nitrophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 81235880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).