N-butyl-N-[(4-fluorophenyl)methyl]-3-hydroxypyridine-2-carboxamide

C17H19FN2O2 — CID 74538907

IUPACN-butyl-N-[(4-fluorophenyl)methyl]-3-hydroxypyridine-2-carboxamide
SMILESCCCCN(Cc1ccc(F)cc1)C(=O)c1ncccc1O
InChIInChI=1S/C17H19FN2O2/c1-2-3-11-20(12-13-6-8-14(18)9-7-13)17(22)16-15(21)5-4-10-19-16/h4-10,21H,2-3,11-12H2,1H3
InChIKeyFQQPBDUJOXAFET-UHFFFAOYSA-N
MW302.35 g/mol
LogP3.37
Rot. Bonds6

About N-butyl-N-[(4-fluorophenyl)methyl]-3-hydroxypyridine-2-carboxamide

N-butyl-N-[(4-fluorophenyl)methyl]-3-hydroxypyridine-2-carboxamide (PubChem CID 74538907) has the molecular formula C17H19FN2O2 and a molecular weight of 302.35 g/mol. Its IUPAC name is N-butyl-N-[(4-fluorophenyl)methyl]-3-hydroxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-butyl-N-[(4-fluorophenyl)methyl]-3-hydroxypyridine-2-carboxamide
PubChem CID74538907
Molecular FormulaC17H19FN2O2
Molecular Weight302.35 g/mol
Exact Mass302.14
IUPAC NameN-butyl-N-[(4-fluorophenyl)methyl]-3-hydroxypyridine-2-carboxamide
SMILESCCCCN(Cc1ccc(F)cc1)C(=O)c1ncccc1O
InChIInChI=1S/C17H19FN2O2/c1-2-3-11-20(12-13-6-8-14(18)9-7-13)17(22)16-15(21)5-4-10-19-16/h4-10,21H,2-3,11-12H2,1H3
InChIKeyFQQPBDUJOXAFET-UHFFFAOYSA-N
XLogP3.37
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[(4-fluorophenyl)methyl]-3-hydroxypyridine-2-carboxamide?
The IUPAC name of N-butyl-N-[(4-fluorophenyl)methyl]-3-hydroxypyridine-2-carboxamide (CID 74538907) is N-butyl-N-[(4-fluorophenyl)methyl]-3-hydroxypyridine-2-carboxamide.
What is the SMILES notation for N-butyl-N-[(4-fluorophenyl)methyl]-3-hydroxypyridine-2-carboxamide?
The canonical SMILES for N-butyl-N-[(4-fluorophenyl)methyl]-3-hydroxypyridine-2-carboxamide is CCCCN(Cc1ccc(F)cc1)C(=O)c1ncccc1O.
What is the InChIKey of N-butyl-N-[(4-fluorophenyl)methyl]-3-hydroxypyridine-2-carboxamide?
The InChIKey is FQQPBDUJOXAFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O2/c1-2-3-11-20(12-13-6-8-14(18)9-7-13)17(22)16-15(21)5-4-10-19-16/h4-10,21H,2-3,11-12H2,1H3.
What are the key properties of N-butyl-N-[(4-fluorophenyl)methyl]-3-hydroxypyridine-2-carboxamide?
N-butyl-N-[(4-fluorophenyl)methyl]-3-hydroxypyridine-2-carboxamide has a molecular weight of 302.35 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[(4-fluorophenyl)methyl]-3-hydroxypyridine-2-carboxamide is sourced from PubChem (CID 74538907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).