1-[(4-fluorophenyl)methyl]-N-(2-methoxy-4-nitrophenyl)-6-oxopyridine-3-carboxamide

C20H16FN3O5 — CID 18582623

IUPAC1-[(4-fluorophenyl)methyl]-N-(2-methoxy-4-nitrophenyl)-6-oxopyridine-3-carboxamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(=O)n(Cc2ccc(F)cc2)c1
InChIInChI=1S/C20H16FN3O5/c1-29-18-10-16(24(27)28)7-8-17(18)22-20(26)14-4-9-19(25)23(12-14)11-13-2-5-15(21)6-3-13/h2-10,12H,11H2,1H3,(H,22,26)
InChIKeyVXPOFZQGRNKNMY-UHFFFAOYSA-N
MW397.36 g/mol
LogP3.20
Rot. Bonds6

About 1-[(4-fluorophenyl)methyl]-N-(2-methoxy-4-nitrophenyl)-6-oxopyridine-3-carboxamide

1-[(4-fluorophenyl)methyl]-N-(2-methoxy-4-nitrophenyl)-6-oxopyridine-3-carboxamide (PubChem CID 18582623) has the molecular formula C20H16FN3O5 and a molecular weight of 397.36 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-N-(2-methoxy-4-nitrophenyl)-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-N-(2-methoxy-4-nitrophenyl)-6-oxopyridine-3-carboxamide
PubChem CID18582623
Molecular FormulaC20H16FN3O5
Molecular Weight397.36 g/mol
Exact Mass397.11
IUPAC Name1-[(4-fluorophenyl)methyl]-N-(2-methoxy-4-nitrophenyl)-6-oxopyridine-3-carboxamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(=O)n(Cc2ccc(F)cc2)c1
InChIInChI=1S/C20H16FN3O5/c1-29-18-10-16(24(27)28)7-8-17(18)22-20(26)14-4-9-19(25)23(12-14)11-13-2-5-15(21)6-3-13/h2-10,12H,11H2,1H3,(H,22,26)
InChIKeyVXPOFZQGRNKNMY-UHFFFAOYSA-N
XLogP3.20
TPSA103.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.36
LogP ≤ 53.20
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-N-(2-methoxy-4-nitrophenyl)-6-oxopyridine-3-carboxamide?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-N-(2-methoxy-4-nitrophenyl)-6-oxopyridine-3-carboxamide (CID 18582623) is 1-[(4-fluorophenyl)methyl]-N-(2-methoxy-4-nitrophenyl)-6-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-N-(2-methoxy-4-nitrophenyl)-6-oxopyridine-3-carboxamide?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-N-(2-methoxy-4-nitrophenyl)-6-oxopyridine-3-carboxamide is COc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(=O)n(Cc2ccc(F)cc2)c1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-N-(2-methoxy-4-nitrophenyl)-6-oxopyridine-3-carboxamide?
The InChIKey is VXPOFZQGRNKNMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O5/c1-29-18-10-16(24(27)28)7-8-17(18)22-20(26)14-4-9-19(25)23(12-14)11-13-2-5-15(21)6-3-13/h2-10,12H,11H2,1H3,(H,22,26).
What are the key properties of 1-[(4-fluorophenyl)methyl]-N-(2-methoxy-4-nitrophenyl)-6-oxopyridine-3-carboxamide?
1-[(4-fluorophenyl)methyl]-N-(2-methoxy-4-nitrophenyl)-6-oxopyridine-3-carboxamide has a molecular weight of 397.36 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-N-(2-methoxy-4-nitrophenyl)-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 18582623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).