N-ethyl-N-[(3-nitrophenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide

C15H15N3O4 — CID 38603487

IUPACN-ethyl-N-[(3-nitrophenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc[nH]c1=O
InChIInChI=1S/C15H15N3O4/c1-2-17(15(20)13-7-4-8-16-14(13)19)10-11-5-3-6-12(9-11)18(21)22/h3-9H,2,10H2,1H3,(H,16,19)
InChIKeyALXHQVCRZFEHQE-UHFFFAOYSA-N
MW301.30 g/mol
LogP1.95
Rot. Bonds5

About N-ethyl-N-[(3-nitrophenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide

N-ethyl-N-[(3-nitrophenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 38603487) has the molecular formula C15H15N3O4 and a molecular weight of 301.30 g/mol. Its IUPAC name is N-ethyl-N-[(3-nitrophenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[(3-nitrophenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID38603487
Molecular FormulaC15H15N3O4
Molecular Weight301.30 g/mol
Exact Mass301.11
IUPAC NameN-ethyl-N-[(3-nitrophenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc[nH]c1=O
InChIInChI=1S/C15H15N3O4/c1-2-17(15(20)13-7-4-8-16-14(13)19)10-11-5-3-6-12(9-11)18(21)22/h3-9H,2,10H2,1H3,(H,16,19)
InChIKeyALXHQVCRZFEHQE-UHFFFAOYSA-N
XLogP1.95
TPSA96.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-ethyl-N-[(3-nitrophenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-ethyl-N-[(3-nitrophenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide (CID 38603487) is N-ethyl-N-[(3-nitrophenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-ethyl-N-[(3-nitrophenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-ethyl-N-[(3-nitrophenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide is CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc[nH]c1=O.
What is the InChIKey of N-ethyl-N-[(3-nitrophenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is ALXHQVCRZFEHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O4/c1-2-17(15(20)13-7-4-8-16-14(13)19)10-11-5-3-6-12(9-11)18(21)22/h3-9H,2,10H2,1H3,(H,16,19).
What are the key properties of N-ethyl-N-[(3-nitrophenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide?
N-ethyl-N-[(3-nitrophenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 301.30 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(3-nitrophenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 38603487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).