N-(2,5-difluorophenyl)-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide

C19H13F2N3O4 — CID 7599222

IUPACN-(2,5-difluorophenyl)-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide
SMILESO=C(Nc1cc(F)ccc1F)c1cccn(Cc2cccc([N+](=O)[O-])c2)c1=O
InChIInChI=1S/C19H13F2N3O4/c20-13-6-7-16(21)17(10-13)22-18(25)15-5-2-8-23(19(15)26)11-12-3-1-4-14(9-12)24(27)28/h1-10H,11H2,(H,22,25)
InChIKeyOWVBOIBOVIMEBS-UHFFFAOYSA-N
MW385.33 g/mol
LogP3.34
Rot. Bonds5

About N-(2,5-difluorophenyl)-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide

N-(2,5-difluorophenyl)-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide (PubChem CID 7599222) has the molecular formula C19H13F2N3O4 and a molecular weight of 385.33 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide
PubChem CID7599222
Molecular FormulaC19H13F2N3O4
Molecular Weight385.33 g/mol
Exact Mass385.09
IUPAC NameN-(2,5-difluorophenyl)-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide
SMILESO=C(Nc1cc(F)ccc1F)c1cccn(Cc2cccc([N+](=O)[O-])c2)c1=O
InChIInChI=1S/C19H13F2N3O4/c20-13-6-7-16(21)17(10-13)22-18(25)15-5-2-8-23(19(15)26)11-12-3-1-4-14(9-12)24(27)28/h1-10H,11H2,(H,22,25)
InChIKeyOWVBOIBOVIMEBS-UHFFFAOYSA-N
XLogP3.34
TPSA94.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.33
LogP ≤ 53.34
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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Related Compounds

N-(2-chlorophenyl)-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7599190
1-[(4-fluorophenyl)methyl]-N-(2-methyl-5-nitrophenyl)-2-oxopyridine-3-carboxamide
CID 7597772
N-(3,5-dimethylphenyl)-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7599231
N-(3-methylphenyl)-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7599175
N-(3-acetylphenyl)-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7599212
1-[(3-methylphenyl)methyl]-N-(3-nitrophenyl)-2-oxopyridine-3-carboxamide
CID 7598295
N-(2-methoxy-5-nitrophenyl)-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 48520347
1-[(3-chlorophenyl)methyl]-N-(4-nitrophenyl)-2-oxopyridine-3-carboxamide
CID 7599052
1-[(2,4-dichlorophenyl)methyl]-N-(2,5-difluorophenyl)-2-oxopyridine-3-carboxamide
CID 7599310
1-[(3-chlorophenyl)methyl]-N-(4-fluoro-3-nitrophenyl)-2-oxopyridine-3-carboxamide
CID 7599112
N-(1,3-benzothiazol-2-yl)-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7599269
N-(2-fluorophenyl)-1-[(3-methoxyphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110382898

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide?
The IUPAC name of N-(2,5-difluorophenyl)-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide (CID 7599222) is N-(2,5-difluorophenyl)-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-(2,5-difluorophenyl)-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide is O=C(Nc1cc(F)ccc1F)c1cccn(Cc2cccc([N+](=O)[O-])c2)c1=O.
What is the InChIKey of N-(2,5-difluorophenyl)-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide?
The InChIKey is OWVBOIBOVIMEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F2N3O4/c20-13-6-7-16(21)17(10-13)22-18(25)15-5-2-8-23(19(15)26)11-12-3-1-4-14(9-12)24(27)28/h1-10H,11H2,(H,22,25).
What are the key properties of N-(2,5-difluorophenyl)-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide?
N-(2,5-difluorophenyl)-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide has a molecular weight of 385.33 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 7599222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).