4-fluoro-2-hydroxy-N-[(3-methyl-4-pyridinyl)methyl]benzamide

C14H13FN2O2 — CID 104957562

IUPAC4-fluoro-2-hydroxy-N-[(3-methyl-4-pyridinyl)methyl]benzamide
SMILESCc1cnccc1CNC(=O)c1ccc(F)cc1O
InChIInChI=1S/C14H13FN2O2/c1-9-7-16-5-4-10(9)8-17-14(19)12-3-2-11(15)6-13(12)18/h2-7,18H,8H2,1H3,(H,17,19)
InChIKeyLQVXVFXZMSYJJU-UHFFFAOYSA-N
MW260.27 g/mol
LogP2.16
Rot. Bonds3

About 4-fluoro-2-hydroxy-N-[(3-methyl-4-pyridinyl)methyl]benzamide

4-fluoro-2-hydroxy-N-[(3-methyl-4-pyridinyl)methyl]benzamide (PubChem CID 104957562) has the molecular formula C14H13FN2O2 and a molecular weight of 260.27 g/mol. Its IUPAC name is 4-fluoro-2-hydroxy-N-[(3-methyl-4-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name4-fluoro-2-hydroxy-N-[(3-methyl-4-pyridinyl)methyl]benzamide
PubChem CID104957562
Molecular FormulaC14H13FN2O2
Molecular Weight260.27 g/mol
Exact Mass260.10
IUPAC Name4-fluoro-2-hydroxy-N-[(3-methyl-4-pyridinyl)methyl]benzamide
SMILESCc1cnccc1CNC(=O)c1ccc(F)cc1O
InChIInChI=1S/C14H13FN2O2/c1-9-7-16-5-4-10(9)8-17-14(19)12-3-2-11(15)6-13(12)18/h2-7,18H,8H2,1H3,(H,17,19)
InChIKeyLQVXVFXZMSYJJU-UHFFFAOYSA-N
XLogP2.16
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dihydroxy-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 104957549
2-amino-4-fluoro-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114698170
3-hydroxy-2-methyl-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114700649
3,4,5-trifluoro-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114699471
5-bromo-2-fluoro-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114700595
2-hydroxy-3-methyl-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114700654
2-amino-4-methyl-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114701849
2,4-dibromo-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 104956264
5-methyl-2-(methylamino)-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114701834
3,5-diamino-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114698194
N-[(2,4-difluorophenyl)methyl]-3-fluoropyridine-4-carboxamide
CID 115645752
N-[(2,5-difluorophenyl)methyl]-3-fluoropyridine-4-carboxamide
CID 115646128

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-hydroxy-N-[(3-methyl-4-pyridinyl)methyl]benzamide?
The IUPAC name of 4-fluoro-2-hydroxy-N-[(3-methyl-4-pyridinyl)methyl]benzamide (CID 104957562) is 4-fluoro-2-hydroxy-N-[(3-methyl-4-pyridinyl)methyl]benzamide.
What is the SMILES notation for 4-fluoro-2-hydroxy-N-[(3-methyl-4-pyridinyl)methyl]benzamide?
The canonical SMILES for 4-fluoro-2-hydroxy-N-[(3-methyl-4-pyridinyl)methyl]benzamide is Cc1cnccc1CNC(=O)c1ccc(F)cc1O.
What is the InChIKey of 4-fluoro-2-hydroxy-N-[(3-methyl-4-pyridinyl)methyl]benzamide?
The InChIKey is LQVXVFXZMSYJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2/c1-9-7-16-5-4-10(9)8-17-14(19)12-3-2-11(15)6-13(12)18/h2-7,18H,8H2,1H3,(H,17,19).
What are the key properties of 4-fluoro-2-hydroxy-N-[(3-methyl-4-pyridinyl)methyl]benzamide?
4-fluoro-2-hydroxy-N-[(3-methyl-4-pyridinyl)methyl]benzamide has a molecular weight of 260.27 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-hydroxy-N-[(3-methyl-4-pyridinyl)methyl]benzamide is sourced from PubChem (CID 104957562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).