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

C14H13N3O4 — CID 2852335

IUPACN-(4-ethoxy-2-nitrophenyl)pyridine-3-carboxamide
SMILESCCOc1ccc(NC(=O)c2cccnc2)c([N+](=O)[O-])c1
InChIInChI=1S/C14H13N3O4/c1-2-21-11-5-6-12(13(8-11)17(19)20)16-14(18)10-4-3-7-15-9-10/h3-9H,2H2,1H3,(H,16,18)
InChIKeyGDHSLSJRVQYLHZ-UHFFFAOYSA-N
MW287.27 g/mol
LogP2.64
Rot. Bonds5

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

N-(4-ethoxy-2-nitrophenyl)pyridine-3-carboxamide (PubChem CID 2852335) has the molecular formula C14H13N3O4 and a molecular weight of 287.27 g/mol. Its IUPAC name is N-(4-ethoxy-2-nitrophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxy-2-nitrophenyl)pyridine-3-carboxamide
PubChem CID2852335
Molecular FormulaC14H13N3O4
Molecular Weight287.27 g/mol
Exact Mass287.09
IUPAC NameN-(4-ethoxy-2-nitrophenyl)pyridine-3-carboxamide
SMILESCCOc1ccc(NC(=O)c2cccnc2)c([N+](=O)[O-])c1
InChIInChI=1S/C14H13N3O4/c1-2-21-11-5-6-12(13(8-11)17(19)20)16-14(18)10-4-3-7-15-9-10/h3-9H,2H2,1H3,(H,16,18)
InChIKeyGDHSLSJRVQYLHZ-UHFFFAOYSA-N
XLogP2.64
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 52.64
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-ethoxy-2-nitrophenyl)pyridine-3-carboxamide?
The IUPAC name of N-(4-ethoxy-2-nitrophenyl)pyridine-3-carboxamide (CID 2852335) is N-(4-ethoxy-2-nitrophenyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-ethoxy-2-nitrophenyl)pyridine-3-carboxamide?
The canonical SMILES for N-(4-ethoxy-2-nitrophenyl)pyridine-3-carboxamide is CCOc1ccc(NC(=O)c2cccnc2)c([N+](=O)[O-])c1.
What is the InChIKey of N-(4-ethoxy-2-nitrophenyl)pyridine-3-carboxamide?
The InChIKey is GDHSLSJRVQYLHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4/c1-2-21-11-5-6-12(13(8-11)17(19)20)16-14(18)10-4-3-7-15-9-10/h3-9H,2H2,1H3,(H,16,18).
What are the key properties of N-(4-ethoxy-2-nitrophenyl)pyridine-3-carboxamide?
N-(4-ethoxy-2-nitrophenyl)pyridine-3-carboxamide has a molecular weight of 287.27 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-2-nitrophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 2852335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).