6-amino-N-(2-methoxy-5-nitrophenyl)pyridine-2-carboxamide

C13H12N4O4 — CID 62240083

IUPAC6-amino-N-(2-methoxy-5-nitrophenyl)pyridine-2-carboxamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(N)n1
InChIInChI=1S/C13H12N4O4/c1-21-11-6-5-8(17(19)20)7-10(11)16-13(18)9-3-2-4-12(14)15-9/h2-7H,1H3,(H2,14,15)(H,16,18)
InChIKeyKXQYTMZNZBLLMG-UHFFFAOYSA-N
MW288.26 g/mol
LogP1.83
Rot. Bonds4

About 6-amino-N-(2-methoxy-5-nitrophenyl)pyridine-2-carboxamide

6-amino-N-(2-methoxy-5-nitrophenyl)pyridine-2-carboxamide (PubChem CID 62240083) has the molecular formula C13H12N4O4 and a molecular weight of 288.26 g/mol. Its IUPAC name is 6-amino-N-(2-methoxy-5-nitrophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-amino-N-(2-methoxy-5-nitrophenyl)pyridine-2-carboxamide
PubChem CID62240083
Molecular FormulaC13H12N4O4
Molecular Weight288.26 g/mol
Exact Mass288.09
IUPAC Name6-amino-N-(2-methoxy-5-nitrophenyl)pyridine-2-carboxamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(N)n1
InChIInChI=1S/C13H12N4O4/c1-21-11-6-5-8(17(19)20)7-10(11)16-13(18)9-3-2-4-12(14)15-9/h2-7H,1H3,(H2,14,15)(H,16,18)
InChIKeyKXQYTMZNZBLLMG-UHFFFAOYSA-N
XLogP1.83
TPSA120.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

6-amino-N-(2,5-dimethoxyphenyl)pyridine-2-carboxamide
CID 62241119
6-chloro-N-(2-methoxy-5-nitrophenyl)pyrazine-2-carboxamide
CID 107260793
4-methoxy-N-(2-methoxy-5-nitrophenyl)benzamide
CID 871212
N-(5-amino-2-methoxyphenyl)-6-methylpyridine-2-carboxamide
CID 16788518
2-(3-chlorophenyl)-N-(2-methoxy-5-nitrophenyl)-1,3-thiazole-4-carboxamide
CID 112773660
2-chloro-N-(2-methoxy-5-nitrophenyl)pyridine-3-carboxamide
CID 4525624
2-chloro-N-(2-methoxy-5-nitrophenyl)furan-3-carboxamide
CID 106685355
6-chloro-N-(2-chloro-4-nitrophenyl)pyridine-2-carboxamide
CID 62234009
2,5-dichloro-N-(2-methoxy-5-nitrophenyl)thiophene-3-carboxamide
CID 55374643
6-chloro-N-(2-methoxy-5-nitrophenyl)pyridine-3-carboxamide
CID 2108909
N-(2-methoxy-5-nitrophenyl)-6-methylpyridine-3-carboxamide
CID 46511382
2-(3,4-dichlorophenyl)-N-(2-methoxy-5-nitrophenyl)-1,3-oxazole-4-carboxamide
CID 84552904

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(2-methoxy-5-nitrophenyl)pyridine-2-carboxamide?
The IUPAC name of 6-amino-N-(2-methoxy-5-nitrophenyl)pyridine-2-carboxamide (CID 62240083) is 6-amino-N-(2-methoxy-5-nitrophenyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-amino-N-(2-methoxy-5-nitrophenyl)pyridine-2-carboxamide?
The canonical SMILES for 6-amino-N-(2-methoxy-5-nitrophenyl)pyridine-2-carboxamide is COc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(N)n1.
What is the InChIKey of 6-amino-N-(2-methoxy-5-nitrophenyl)pyridine-2-carboxamide?
The InChIKey is KXQYTMZNZBLLMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O4/c1-21-11-6-5-8(17(19)20)7-10(11)16-13(18)9-3-2-4-12(14)15-9/h2-7H,1H3,(H2,14,15)(H,16,18).
What are the key properties of 6-amino-N-(2-methoxy-5-nitrophenyl)pyridine-2-carboxamide?
6-amino-N-(2-methoxy-5-nitrophenyl)pyridine-2-carboxamide has a molecular weight of 288.26 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(2-methoxy-5-nitrophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 62240083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).