N-[(4-cyano-2,6-dimethylphenyl)methyl]-5-fluoro-3-hydroxypyridine-2-carboxamide

C16H14FN3O2 — CID 138491575

IUPACN-[(4-cyano-2,6-dimethylphenyl)methyl]-5-fluoro-3-hydroxypyridine-2-carboxamide
SMILESCc1cc(C#N)cc(C)c1CNC(=O)c1ncc(F)cc1O
InChIInChI=1S/C16H14FN3O2/c1-9-3-11(6-18)4-10(2)13(9)8-20-16(22)15-14(21)5-12(17)7-19-15/h3-5,7,21H,8H2,1-2H3,(H,20,22)
InChIKeyCJDTYUIHBBXLDS-UHFFFAOYSA-N
MW299.31 g/mol
LogP2.34
Rot. Bonds3

About N-[(4-cyano-2,6-dimethylphenyl)methyl]-5-fluoro-3-hydroxypyridine-2-carboxamide

N-[(4-cyano-2,6-dimethylphenyl)methyl]-5-fluoro-3-hydroxypyridine-2-carboxamide (PubChem CID 138491575) has the molecular formula C16H14FN3O2 and a molecular weight of 299.31 g/mol. Its IUPAC name is N-[(4-cyano-2,6-dimethylphenyl)methyl]-5-fluoro-3-hydroxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-cyano-2,6-dimethylphenyl)methyl]-5-fluoro-3-hydroxypyridine-2-carboxamide
PubChem CID138491575
Molecular FormulaC16H14FN3O2
Molecular Weight299.31 g/mol
Exact Mass299.11
IUPAC NameN-[(4-cyano-2,6-dimethylphenyl)methyl]-5-fluoro-3-hydroxypyridine-2-carboxamide
SMILESCc1cc(C#N)cc(C)c1CNC(=O)c1ncc(F)cc1O
InChIInChI=1S/C16H14FN3O2/c1-9-3-11(6-18)4-10(2)13(9)8-20-16(22)15-14(21)5-12(17)7-19-15/h3-5,7,21H,8H2,1-2H3,(H,20,22)
InChIKeyCJDTYUIHBBXLDS-UHFFFAOYSA-N
XLogP2.34
TPSA86.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-cyano-2,6-dimethylphenyl)methyl]-5-fluoro-3-hydroxypyridine-2-carboxamide?
The IUPAC name of N-[(4-cyano-2,6-dimethylphenyl)methyl]-5-fluoro-3-hydroxypyridine-2-carboxamide (CID 138491575) is N-[(4-cyano-2,6-dimethylphenyl)methyl]-5-fluoro-3-hydroxypyridine-2-carboxamide.
What is the SMILES notation for N-[(4-cyano-2,6-dimethylphenyl)methyl]-5-fluoro-3-hydroxypyridine-2-carboxamide?
The canonical SMILES for N-[(4-cyano-2,6-dimethylphenyl)methyl]-5-fluoro-3-hydroxypyridine-2-carboxamide is Cc1cc(C#N)cc(C)c1CNC(=O)c1ncc(F)cc1O.
What is the InChIKey of N-[(4-cyano-2,6-dimethylphenyl)methyl]-5-fluoro-3-hydroxypyridine-2-carboxamide?
The InChIKey is CJDTYUIHBBXLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O2/c1-9-3-11(6-18)4-10(2)13(9)8-20-16(22)15-14(21)5-12(17)7-19-15/h3-5,7,21H,8H2,1-2H3,(H,20,22).
What are the key properties of N-[(4-cyano-2,6-dimethylphenyl)methyl]-5-fluoro-3-hydroxypyridine-2-carboxamide?
N-[(4-cyano-2,6-dimethylphenyl)methyl]-5-fluoro-3-hydroxypyridine-2-carboxamide has a molecular weight of 299.31 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyano-2,6-dimethylphenyl)methyl]-5-fluoro-3-hydroxypyridine-2-carboxamide is sourced from PubChem (CID 138491575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).