N-butyl-N-[(2-fluorophenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide

C17H19FN2O2 — CID 46982749

IUPACN-butyl-N-[(2-fluorophenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCCCCN(Cc1ccccc1F)C(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C17H19FN2O2/c1-2-3-10-20(12-14-6-4-5-7-15(14)18)17(22)13-8-9-16(21)19-11-13/h4-9,11H,2-3,10,12H2,1H3,(H,19,21)
InChIKeyJSGRJSKJQSNXHU-UHFFFAOYSA-N
MW302.35 g/mol
LogP2.96
Rot. Bonds6

About N-butyl-N-[(2-fluorophenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide

N-butyl-N-[(2-fluorophenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 46982749) has the molecular formula C17H19FN2O2 and a molecular weight of 302.35 g/mol. Its IUPAC name is N-butyl-N-[(2-fluorophenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-N-[(2-fluorophenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide
PubChem CID46982749
Molecular FormulaC17H19FN2O2
Molecular Weight302.35 g/mol
Exact Mass302.14
IUPAC NameN-butyl-N-[(2-fluorophenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCCCCN(Cc1ccccc1F)C(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C17H19FN2O2/c1-2-3-10-20(12-14-6-4-5-7-15(14)18)17(22)13-8-9-16(21)19-11-13/h4-9,11H,2-3,10,12H2,1H3,(H,19,21)
InChIKeyJSGRJSKJQSNXHU-UHFFFAOYSA-N
XLogP2.96
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N-Benzylcrotonamide
CID 2313079
2(1H)-Pyridinone, 5-ethyl-3-(((2-fluorophenyl)methyl)amino)-6-methyl-
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1-Benzyl-4-hexylpyridin-2-one
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N-benzyl-1-(3-methylbutyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
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CB1/2 agonist 1
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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[(2-fluorophenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-butyl-N-[(2-fluorophenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide (CID 46982749) is N-butyl-N-[(2-fluorophenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-butyl-N-[(2-fluorophenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-butyl-N-[(2-fluorophenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide is CCCCN(Cc1ccccc1F)C(=O)c1ccc(=O)[nH]c1.
What is the InChIKey of N-butyl-N-[(2-fluorophenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is JSGRJSKJQSNXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O2/c1-2-3-10-20(12-14-6-4-5-7-15(14)18)17(22)13-8-9-16(21)19-11-13/h4-9,11H,2-3,10,12H2,1H3,(H,19,21).
What are the key properties of N-butyl-N-[(2-fluorophenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide?
N-butyl-N-[(2-fluorophenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 302.35 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[(2-fluorophenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 46982749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).