1-[(3,4-difluorophenyl)methyl]-6-oxo-N-phenylpyridine-3-carboxamide

C19H14F2N2O2 — CID 2764861

IUPAC1-[(3,4-difluorophenyl)methyl]-6-oxo-N-phenylpyridine-3-carboxamide
SMILESO=C(Nc1ccccc1)c1ccc(=O)n(Cc2ccc(F)c(F)c2)c1
InChIInChI=1S/C19H14F2N2O2/c20-16-8-6-13(10-17(16)21)11-23-12-14(7-9-18(23)24)19(25)22-15-4-2-1-3-5-15/h1-10,12H,11H2,(H,22,25)
InChIKeyRNMXGEPXZHKSSY-UHFFFAOYSA-N
MW340.33 g/mol
LogP3.43
Rot. Bonds4

About 1-[(3,4-difluorophenyl)methyl]-6-oxo-N-phenylpyridine-3-carboxamide

1-[(3,4-difluorophenyl)methyl]-6-oxo-N-phenylpyridine-3-carboxamide (PubChem CID 2764861) has the molecular formula C19H14F2N2O2 and a molecular weight of 340.33 g/mol. Its IUPAC name is 1-[(3,4-difluorophenyl)methyl]-6-oxo-N-phenylpyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(3,4-difluorophenyl)methyl]-6-oxo-N-phenylpyridine-3-carboxamide
PubChem CID2764861
Molecular FormulaC19H14F2N2O2
Molecular Weight340.33 g/mol
Exact Mass340.10
IUPAC Name1-[(3,4-difluorophenyl)methyl]-6-oxo-N-phenylpyridine-3-carboxamide
SMILESO=C(Nc1ccccc1)c1ccc(=O)n(Cc2ccc(F)c(F)c2)c1
InChIInChI=1S/C19H14F2N2O2/c20-16-8-6-13(10-17(16)21)11-23-12-14(7-9-18(23)24)19(25)22-15-4-2-1-3-5-15/h1-10,12H,11H2,(H,22,25)
InChIKeyRNMXGEPXZHKSSY-UHFFFAOYSA-N
XLogP3.43
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.33
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-difluorophenyl)methyl]-6-oxo-N-phenylpyridine-3-carboxamide?
The IUPAC name of 1-[(3,4-difluorophenyl)methyl]-6-oxo-N-phenylpyridine-3-carboxamide (CID 2764861) is 1-[(3,4-difluorophenyl)methyl]-6-oxo-N-phenylpyridine-3-carboxamide.
What is the SMILES notation for 1-[(3,4-difluorophenyl)methyl]-6-oxo-N-phenylpyridine-3-carboxamide?
The canonical SMILES for 1-[(3,4-difluorophenyl)methyl]-6-oxo-N-phenylpyridine-3-carboxamide is O=C(Nc1ccccc1)c1ccc(=O)n(Cc2ccc(F)c(F)c2)c1.
What is the InChIKey of 1-[(3,4-difluorophenyl)methyl]-6-oxo-N-phenylpyridine-3-carboxamide?
The InChIKey is RNMXGEPXZHKSSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N2O2/c20-16-8-6-13(10-17(16)21)11-23-12-14(7-9-18(23)24)19(25)22-15-4-2-1-3-5-15/h1-10,12H,11H2,(H,22,25).
What are the key properties of 1-[(3,4-difluorophenyl)methyl]-6-oxo-N-phenylpyridine-3-carboxamide?
1-[(3,4-difluorophenyl)methyl]-6-oxo-N-phenylpyridine-3-carboxamide has a molecular weight of 340.33 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-difluorophenyl)methyl]-6-oxo-N-phenylpyridine-3-carboxamide is sourced from PubChem (CID 2764861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).