1-[(3-chlorophenyl)methoxy]-N-(4-nitrophenyl)-2-oxopyridine-3-carboxamide

C19H14ClN3O5 — CID 40505003

IUPAC1-[(3-chlorophenyl)methoxy]-N-(4-nitrophenyl)-2-oxopyridine-3-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)c1cccn(OCc2cccc(Cl)c2)c1=O
InChIInChI=1S/C19H14ClN3O5/c20-14-4-1-3-13(11-14)12-28-22-10-2-5-17(19(22)25)18(24)21-15-6-8-16(9-7-15)23(26)27/h1-11H,12H2,(H,21,24)
InChIKeyGTBICDMBQLZERL-UHFFFAOYSA-N
MW399.79 g/mol
LogP3.29
Rot. Bonds6

About 1-[(3-chlorophenyl)methoxy]-N-(4-nitrophenyl)-2-oxopyridine-3-carboxamide

1-[(3-chlorophenyl)methoxy]-N-(4-nitrophenyl)-2-oxopyridine-3-carboxamide (PubChem CID 40505003) has the molecular formula C19H14ClN3O5 and a molecular weight of 399.79 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methoxy]-N-(4-nitrophenyl)-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methoxy]-N-(4-nitrophenyl)-2-oxopyridine-3-carboxamide
PubChem CID40505003
Molecular FormulaC19H14ClN3O5
Molecular Weight399.79 g/mol
Exact Mass399.06
IUPAC Name1-[(3-chlorophenyl)methoxy]-N-(4-nitrophenyl)-2-oxopyridine-3-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)c1cccn(OCc2cccc(Cl)c2)c1=O
InChIInChI=1S/C19H14ClN3O5/c20-14-4-1-3-13(11-14)12-28-22-10-2-5-17(19(22)25)18(24)21-15-6-8-16(9-7-15)23(26)27/h1-11H,12H2,(H,21,24)
InChIKeyGTBICDMBQLZERL-UHFFFAOYSA-N
XLogP3.29
TPSA103.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.79
LogP ≤ 53.29
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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Related Compounds

1-[(3-chlorophenyl)methyl]-N-(4-nitrophenyl)-2-oxopyridine-3-carboxamide
CID 7599052
1-[(3-chlorophenyl)methoxy]-N-(3,4-dimethylphenyl)-2-oxopyridine-3-carboxamide
CID 40505050
N-(1,3-benzodioxol-5-yl)-1-[(3-chlorophenyl)methoxy]-2-oxopyridine-3-carboxamide
CID 40505037
1-[(3-chlorophenyl)methoxy]-N-(2-cyanophenyl)-2-oxopyridine-3-carboxamide
CID 110382844
N-(2-methylphenyl)-1-[(3-nitrophenyl)methoxy]-2-oxopyridine-3-carboxamide
CID 110382464
N-(3-chlorophenyl)-1-[(4-methoxyphenyl)methoxy]-2-oxopyridine-3-carboxamide
CID 110382784
N-(4-carbamoylphenyl)-1-[(4-chlorophenyl)methoxy]-2-oxopyridine-3-carboxamide
CID 110382726
N-(4-ethylphenyl)-1-[(3-methoxyphenyl)methoxy]-2-oxopyridine-3-carboxamide
CID 110382737
1-[(3-methylphenyl)methoxy]-N-(6-nitro-1,3-benzothiazol-2-yl)-2-oxopyridine-3-carboxamide
CID 46259869
N-(4-carbamoylphenyl)-2-oxo-1-phenylmethoxypyridine-3-carboxamide
CID 110382871
1-[(3-methoxyphenyl)methoxy]-N-(2-nitrophenyl)-2-oxopyridine-3-carboxamide
CID 110381928
1-[(4-chlorophenyl)methoxy]-N-(3-methoxyphenyl)-2-oxopyridine-3-carboxamide
CID 110382717

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methoxy]-N-(4-nitrophenyl)-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-[(3-chlorophenyl)methoxy]-N-(4-nitrophenyl)-2-oxopyridine-3-carboxamide (CID 40505003) is 1-[(3-chlorophenyl)methoxy]-N-(4-nitrophenyl)-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-[(3-chlorophenyl)methoxy]-N-(4-nitrophenyl)-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-[(3-chlorophenyl)methoxy]-N-(4-nitrophenyl)-2-oxopyridine-3-carboxamide is O=C(Nc1ccc([N+](=O)[O-])cc1)c1cccn(OCc2cccc(Cl)c2)c1=O.
What is the InChIKey of 1-[(3-chlorophenyl)methoxy]-N-(4-nitrophenyl)-2-oxopyridine-3-carboxamide?
The InChIKey is GTBICDMBQLZERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O5/c20-14-4-1-3-13(11-14)12-28-22-10-2-5-17(19(22)25)18(24)21-15-6-8-16(9-7-15)23(26)27/h1-11H,12H2,(H,21,24).
What are the key properties of 1-[(3-chlorophenyl)methoxy]-N-(4-nitrophenyl)-2-oxopyridine-3-carboxamide?
1-[(3-chlorophenyl)methoxy]-N-(4-nitrophenyl)-2-oxopyridine-3-carboxamide has a molecular weight of 399.79 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methoxy]-N-(4-nitrophenyl)-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 40505003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).