N-[[4-fluoro-3-(hydroxymethyl)phenyl]methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide

C15H15FN2O3 — CID 75387770

IUPACN-[[4-fluoro-3-(hydroxymethyl)phenyl]methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide
SMILESCc1[nH]c(=O)ccc1C(=O)NCc1ccc(F)c(CO)c1
InChIInChI=1S/C15H15FN2O3/c1-9-12(3-5-14(20)18-9)15(21)17-7-10-2-4-13(16)11(6-10)8-19/h2-6,19H,7-8H2,1H3,(H,17,21)(H,18,20)
InChIKeyWECNBJPYSDFFAR-UHFFFAOYSA-N
MW290.29 g/mol
LogP1.24
Rot. Bonds4

About N-[[4-fluoro-3-(hydroxymethyl)phenyl]methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide

N-[[4-fluoro-3-(hydroxymethyl)phenyl]methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 75387770) has the molecular formula C15H15FN2O3 and a molecular weight of 290.29 g/mol. Its IUPAC name is N-[[4-fluoro-3-(hydroxymethyl)phenyl]methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-fluoro-3-(hydroxymethyl)phenyl]methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide
PubChem CID75387770
Molecular FormulaC15H15FN2O3
Molecular Weight290.29 g/mol
Exact Mass290.11
IUPAC NameN-[[4-fluoro-3-(hydroxymethyl)phenyl]methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide
SMILESCc1[nH]c(=O)ccc1C(=O)NCc1ccc(F)c(CO)c1
InChIInChI=1S/C15H15FN2O3/c1-9-12(3-5-14(20)18-9)15(21)17-7-10-2-4-13(16)11(6-10)8-19/h2-6,19H,7-8H2,1H3,(H,17,21)(H,18,20)
InChIKeyWECNBJPYSDFFAR-UHFFFAOYSA-N
XLogP1.24
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[[4-fluoro-3-(hydroxymethyl)phenyl]methyl]-3-methylbenzamide
CID 109399591
4-chloro-2-ethoxy-N-[[4-fluoro-3-(hydroxymethyl)phenyl]methyl]benzamide
CID 110008175
2-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 75395397
N-[(4-chlorophenyl)methyl]-2,4-bis(hydroxymethyl)benzamide
CID 90945452
N-[(3-chloro-4-fluorophenyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 62734214
2,3,4-trifluoro-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]benzamide
CID 75503771
5-chloro-2-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide
CID 107230315
2,4-difluoro-N-[(3-fluoro-4-methylphenyl)methyl]benzamide
CID 34485300
N-[(3-fluoro-4-methylphenyl)methyl]-2,4-dimethylbenzamide
CID 34485315
2,3,4-trifluoro-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 79755129
2-fluoro-4-hydroxy-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide
CID 107675567
N-[[4-fluoro-3-(hydroxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 110012377

Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-3-(hydroxymethyl)phenyl]methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[[4-fluoro-3-(hydroxymethyl)phenyl]methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide (CID 75387770) is N-[[4-fluoro-3-(hydroxymethyl)phenyl]methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[[4-fluoro-3-(hydroxymethyl)phenyl]methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[[4-fluoro-3-(hydroxymethyl)phenyl]methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide is Cc1[nH]c(=O)ccc1C(=O)NCc1ccc(F)c(CO)c1.
What is the InChIKey of N-[[4-fluoro-3-(hydroxymethyl)phenyl]methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is WECNBJPYSDFFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O3/c1-9-12(3-5-14(20)18-9)15(21)17-7-10-2-4-13(16)11(6-10)8-19/h2-6,19H,7-8H2,1H3,(H,17,21)(H,18,20).
What are the key properties of N-[[4-fluoro-3-(hydroxymethyl)phenyl]methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide?
N-[[4-fluoro-3-(hydroxymethyl)phenyl]methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 290.29 g/mol, XLogP of 1.24, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-fluoro-3-(hydroxymethyl)phenyl]methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 75387770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).