N-(4-methoxy-2-nitrophenyl)pyridine-3-carboxamide

C13H11N3O4 — CID 2843300

IUPACN-(4-methoxy-2-nitrophenyl)pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cccnc2)c([N+](=O)[O-])c1
InChIInChI=1S/C13H11N3O4/c1-20-10-4-5-11(12(7-10)16(18)19)15-13(17)9-3-2-6-14-8-9/h2-8H,1H3,(H,15,17)
InChIKeyZHNVFWWIXPGJQY-UHFFFAOYSA-N
MW273.25 g/mol
LogP2.25
Rot. Bonds4

About N-(4-methoxy-2-nitrophenyl)pyridine-3-carboxamide

N-(4-methoxy-2-nitrophenyl)pyridine-3-carboxamide (PubChem CID 2843300) has the molecular formula C13H11N3O4 and a molecular weight of 273.25 g/mol. Its IUPAC name is N-(4-methoxy-2-nitrophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-methoxy-2-nitrophenyl)pyridine-3-carboxamide
PubChem CID2843300
Molecular FormulaC13H11N3O4
Molecular Weight273.25 g/mol
Exact Mass273.07
IUPAC NameN-(4-methoxy-2-nitrophenyl)pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cccnc2)c([N+](=O)[O-])c1
InChIInChI=1S/C13H11N3O4/c1-20-10-4-5-11(12(7-10)16(18)19)15-13(17)9-3-2-6-14-8-9/h2-8H,1H3,(H,15,17)
InChIKeyZHNVFWWIXPGJQY-UHFFFAOYSA-N
XLogP2.25
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 52.25
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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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-2-nitrophenyl)pyridine-3-carboxamide?
The IUPAC name of N-(4-methoxy-2-nitrophenyl)pyridine-3-carboxamide (CID 2843300) is N-(4-methoxy-2-nitrophenyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-methoxy-2-nitrophenyl)pyridine-3-carboxamide?
The canonical SMILES for N-(4-methoxy-2-nitrophenyl)pyridine-3-carboxamide is COc1ccc(NC(=O)c2cccnc2)c([N+](=O)[O-])c1.
What is the InChIKey of N-(4-methoxy-2-nitrophenyl)pyridine-3-carboxamide?
The InChIKey is ZHNVFWWIXPGJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O4/c1-20-10-4-5-11(12(7-10)16(18)19)15-13(17)9-3-2-6-14-8-9/h2-8H,1H3,(H,15,17).
What are the key properties of N-(4-methoxy-2-nitrophenyl)pyridine-3-carboxamide?
N-(4-methoxy-2-nitrophenyl)pyridine-3-carboxamide has a molecular weight of 273.25 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-2-nitrophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 2843300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).