5-N-[(4-fluorophenyl)methyl]-3-hydroxy-2-N,2-N-dimethyl-4-oxo-1H-pyridine-2,5-dicarboxamide

C16H16FN3O4 — CID 71451712

IUPAC5-N-[(4-fluorophenyl)methyl]-3-hydroxy-2-N,2-N-dimethyl-4-oxo-1H-pyridine-2,5-dicarboxamide
SMILESCN(C)C(=O)c1[nH]cc(C(=O)NCc2ccc(F)cc2)c(=O)c1O
InChIInChI=1S/C16H16FN3O4/c1-20(2)16(24)12-14(22)13(21)11(8-18-12)15(23)19-7-9-3-5-10(17)6-4-9/h3-6,8,22H,7H2,1-2H3,(H,18,21)(H,19,23)
InChIKeyRDSJPXACTQFSEC-UHFFFAOYSA-N
MW333.32 g/mol
LogP0.85
Rot. Bonds4

About 5-N-[(4-fluorophenyl)methyl]-3-hydroxy-2-N,2-N-dimethyl-4-oxo-1H-pyridine-2,5-dicarboxamide

5-N-[(4-fluorophenyl)methyl]-3-hydroxy-2-N,2-N-dimethyl-4-oxo-1H-pyridine-2,5-dicarboxamide (PubChem CID 71451712) has the molecular formula C16H16FN3O4 and a molecular weight of 333.32 g/mol. Its IUPAC name is 5-N-[(4-fluorophenyl)methyl]-3-hydroxy-2-N,2-N-dimethyl-4-oxo-1H-pyridine-2,5-dicarboxamide.

Molecular Properties

Compound Name5-N-[(4-fluorophenyl)methyl]-3-hydroxy-2-N,2-N-dimethyl-4-oxo-1H-pyridine-2,5-dicarboxamide
PubChem CID71451712
Molecular FormulaC16H16FN3O4
Molecular Weight333.32 g/mol
Exact Mass333.11
IUPAC Name5-N-[(4-fluorophenyl)methyl]-3-hydroxy-2-N,2-N-dimethyl-4-oxo-1H-pyridine-2,5-dicarboxamide
SMILESCN(C)C(=O)c1[nH]cc(C(=O)NCc2ccc(F)cc2)c(=O)c1O
InChIInChI=1S/C16H16FN3O4/c1-20(2)16(24)12-14(22)13(21)11(8-18-12)15(23)19-7-9-3-5-10(17)6-4-9/h3-6,8,22H,7H2,1-2H3,(H,18,21)(H,19,23)
InChIKeyRDSJPXACTQFSEC-UHFFFAOYSA-N
XLogP0.85
TPSA102.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.32
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-N-[(4-fluorophenyl)methyl]-3-hydroxy-2-N,2-N-dimethyl-4-oxo-1H-pyridine-2,5-dicarboxamide?
The IUPAC name of 5-N-[(4-fluorophenyl)methyl]-3-hydroxy-2-N,2-N-dimethyl-4-oxo-1H-pyridine-2,5-dicarboxamide (CID 71451712) is 5-N-[(4-fluorophenyl)methyl]-3-hydroxy-2-N,2-N-dimethyl-4-oxo-1H-pyridine-2,5-dicarboxamide.
What is the SMILES notation for 5-N-[(4-fluorophenyl)methyl]-3-hydroxy-2-N,2-N-dimethyl-4-oxo-1H-pyridine-2,5-dicarboxamide?
The canonical SMILES for 5-N-[(4-fluorophenyl)methyl]-3-hydroxy-2-N,2-N-dimethyl-4-oxo-1H-pyridine-2,5-dicarboxamide is CN(C)C(=O)c1[nH]cc(C(=O)NCc2ccc(F)cc2)c(=O)c1O.
What is the InChIKey of 5-N-[(4-fluorophenyl)methyl]-3-hydroxy-2-N,2-N-dimethyl-4-oxo-1H-pyridine-2,5-dicarboxamide?
The InChIKey is RDSJPXACTQFSEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O4/c1-20(2)16(24)12-14(22)13(21)11(8-18-12)15(23)19-7-9-3-5-10(17)6-4-9/h3-6,8,22H,7H2,1-2H3,(H,18,21)(H,19,23).
What are the key properties of 5-N-[(4-fluorophenyl)methyl]-3-hydroxy-2-N,2-N-dimethyl-4-oxo-1H-pyridine-2,5-dicarboxamide?
5-N-[(4-fluorophenyl)methyl]-3-hydroxy-2-N,2-N-dimethyl-4-oxo-1H-pyridine-2,5-dicarboxamide has a molecular weight of 333.32 g/mol, XLogP of 0.85, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(4-fluorophenyl)methyl]-3-hydroxy-2-N,2-N-dimethyl-4-oxo-1H-pyridine-2,5-dicarboxamide is sourced from PubChem (CID 71451712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).