N-(2,6-difluorophenyl)-1-[(4-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide

C19H13F2N3O4 — CID 110382694

IUPACN-(2,6-difluorophenyl)-1-[(4-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide
SMILESO=C(Nc1c(F)cccc1F)c1ccc(=O)n(Cc2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C19H13F2N3O4/c20-15-2-1-3-16(21)18(15)22-19(26)13-6-9-17(25)23(11-13)10-12-4-7-14(8-5-12)24(27)28/h1-9,11H,10H2,(H,22,26)
InChIKeyGOUBRRVSXVKCJI-UHFFFAOYSA-N
MW385.33 g/mol
LogP3.34
Rot. Bonds5

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

N-(2,6-difluorophenyl)-1-[(4-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide (PubChem CID 110382694) has the molecular formula C19H13F2N3O4 and a molecular weight of 385.33 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-1-[(4-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-1-[(4-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide
PubChem CID110382694
Molecular FormulaC19H13F2N3O4
Molecular Weight385.33 g/mol
Exact Mass385.09
IUPAC NameN-(2,6-difluorophenyl)-1-[(4-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide
SMILESO=C(Nc1c(F)cccc1F)c1ccc(=O)n(Cc2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C19H13F2N3O4/c20-15-2-1-3-16(21)18(15)22-19(26)13-6-9-17(25)23(11-13)10-12-4-7-14(8-5-12)24(27)28/h1-9,11H,10H2,(H,22,26)
InChIKeyGOUBRRVSXVKCJI-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-(3-acetylphenyl)-1-[(4-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 8697960
1-[(4-nitrophenyl)methyl]-N-(1,2-oxazol-3-yl)-6-oxopyridine-3-carboxamide
CID 8698035
N-(2,4-dimethylphenyl)-1-[(4-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 8697983
1-[(4-nitrophenyl)methyl]-6-oxo-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 8698027
N-(2,5-dimethylphenyl)-1-[(4-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 8697984
1-benzyl-N-(2-chloro-4-nitrophenyl)-6-oxopyridine-3-carboxamide
CID 110382697
4-[(5-nitro-2-oxo-1-pyridinyl)methyl]benzohydrazide
CID 63578818
1-benzyl-N-(2-fluorophenyl)-6-oxopyridine-3-carboxamide
CID 8670963
N-(2,4-dichlorophenyl)-1-[(3-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 18582715
1-[(2-chlorophenyl)methyl]-N-(4-nitrophenyl)-6-oxopyridine-3-carboxamide
CID 8671412
N-(2-methoxy-4-nitrophenyl)-1-[(3-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 18582736
N-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 26843818

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-1-[(4-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide?
The IUPAC name of N-(2,6-difluorophenyl)-1-[(4-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide (CID 110382694) is N-(2,6-difluorophenyl)-1-[(4-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-1-[(4-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide?
The canonical SMILES for N-(2,6-difluorophenyl)-1-[(4-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide is O=C(Nc1c(F)cccc1F)c1ccc(=O)n(Cc2ccc([N+](=O)[O-])cc2)c1.
What is the InChIKey of N-(2,6-difluorophenyl)-1-[(4-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide?
The InChIKey is GOUBRRVSXVKCJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F2N3O4/c20-15-2-1-3-16(21)18(15)22-19(26)13-6-9-17(25)23(11-13)10-12-4-7-14(8-5-12)24(27)28/h1-9,11H,10H2,(H,22,26).
What are the key properties of N-(2,6-difluorophenyl)-1-[(4-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide?
N-(2,6-difluorophenyl)-1-[(4-nitrophenyl)methyl]-6-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-(2,6-difluorophenyl)-1-[(4-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 110382694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).