N-(2-methoxy-5-nitrophenyl)-6-methylpyridine-3-carboxamide

C14H13N3O4 — CID 46511382

IUPACN-(2-methoxy-5-nitrophenyl)-6-methylpyridine-3-carboxamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C)nc1
InChIInChI=1S/C14H13N3O4/c1-9-3-4-10(8-15-9)14(18)16-12-7-11(17(19)20)5-6-13(12)21-2/h3-8H,1-2H3,(H,16,18)
InChIKeyVJJYJUPGAINDBH-UHFFFAOYSA-N
MW287.28 g/mol
LogP2.56
Rot. Bonds4

About N-(2-methoxy-5-nitrophenyl)-6-methylpyridine-3-carboxamide

N-(2-methoxy-5-nitrophenyl)-6-methylpyridine-3-carboxamide (PubChem CID 46511382) has the molecular formula C14H13N3O4 and a molecular weight of 287.28 g/mol. Its IUPAC name is N-(2-methoxy-5-nitrophenyl)-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-5-nitrophenyl)-6-methylpyridine-3-carboxamide
PubChem CID46511382
Molecular FormulaC14H13N3O4
Molecular Weight287.28 g/mol
Exact Mass287.09
IUPAC NameN-(2-methoxy-5-nitrophenyl)-6-methylpyridine-3-carboxamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C)nc1
InChIInChI=1S/C14H13N3O4/c1-9-3-4-10(8-15-9)14(18)16-12-7-11(17(19)20)5-6-13(12)21-2/h3-8H,1-2H3,(H,16,18)
InChIKeyVJJYJUPGAINDBH-UHFFFAOYSA-N
XLogP2.56
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 52.56
H-Bond Donors ≤ 51
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

6-chloro-N-(2-methoxy-5-nitrophenyl)pyridine-3-carboxamide
CID 2108909
4-methoxy-N-(2-methoxy-5-nitrophenyl)benzamide
CID 871212
3-fluoro-N-(2-methoxy-5-nitrophenyl)-4-methylbenzamide
CID 46615926
3-bromo-N-(2-methoxy-5-nitrophenyl)-4-methylbenzamide
CID 1013418
N-(4-chloro-2,5-dimethoxyphenyl)-6-methylpyridine-3-carboxamide
CID 18149046
N-(2-methoxyphenyl)-6-methylpyridine-3-carboxamide
CID 18148000
4-butoxy-3-methoxy-N-(2-methoxy-5-nitrophenyl)benzamide
CID 2213710
N-(2-methoxy-5-nitrophenyl)-4-(2-methylpropanoylamino)benzamide
CID 55606845
N-(2-methoxy-5-nitrophenyl)-4-(methylsulfonylmethyl)benzamide
CID 51160494
2-chloro-N-(2-methoxy-5-nitrophenyl)pyridine-3-carboxamide
CID 4525624
6-chloro-N-(2-methoxy-5-nitrophenyl)pyrazine-2-carboxamide
CID 107260793
5-bromo-N-(2-methoxy-5-nitrophenyl)thiophene-3-carboxamide
CID 43424598

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-nitrophenyl)-6-methylpyridine-3-carboxamide?
The IUPAC name of N-(2-methoxy-5-nitrophenyl)-6-methylpyridine-3-carboxamide (CID 46511382) is N-(2-methoxy-5-nitrophenyl)-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-(2-methoxy-5-nitrophenyl)-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-(2-methoxy-5-nitrophenyl)-6-methylpyridine-3-carboxamide is COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C)nc1.
What is the InChIKey of N-(2-methoxy-5-nitrophenyl)-6-methylpyridine-3-carboxamide?
The InChIKey is VJJYJUPGAINDBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4/c1-9-3-4-10(8-15-9)14(18)16-12-7-11(17(19)20)5-6-13(12)21-2/h3-8H,1-2H3,(H,16,18).
What are the key properties of N-(2-methoxy-5-nitrophenyl)-6-methylpyridine-3-carboxamide?
N-(2-methoxy-5-nitrophenyl)-6-methylpyridine-3-carboxamide has a molecular weight of 287.28 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-nitrophenyl)-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 46511382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).