2-fluoro-N-(1-phenylbutyl)pyridine-3-carboxamide

C16H17FN2O — CID 107358466

IUPAC2-fluoro-N-(1-phenylbutyl)pyridine-3-carboxamide
SMILESCCCC(NC(=O)c1cccnc1F)c1ccccc1
InChIInChI=1S/C16H17FN2O/c1-2-7-14(12-8-4-3-5-9-12)19-16(20)13-10-6-11-18-15(13)17/h3-6,8-11,14H,2,7H2,1H3,(H,19,20)
InChIKeyLDJHQHWLOJCBMK-UHFFFAOYSA-N
MW272.32 g/mol
LogP3.49
Rot. Bonds5

About 2-fluoro-N-(1-phenylbutyl)pyridine-3-carboxamide

2-fluoro-N-(1-phenylbutyl)pyridine-3-carboxamide (PubChem CID 107358466) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is 2-fluoro-N-(1-phenylbutyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-fluoro-N-(1-phenylbutyl)pyridine-3-carboxamide
PubChem CID107358466
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC Name2-fluoro-N-(1-phenylbutyl)pyridine-3-carboxamide
SMILESCCCC(NC(=O)c1cccnc1F)c1ccccc1
InChIInChI=1S/C16H17FN2O/c1-2-7-14(12-8-4-3-5-9-12)19-16(20)13-10-6-11-18-15(13)17/h3-6,8-11,14H,2,7H2,1H3,(H,19,20)
InChIKeyLDJHQHWLOJCBMK-UHFFFAOYSA-N
XLogP3.49
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-N-propan-2-ylpyridine-3-carboxamide
CID 83404912
4-fluoro-N-(1-phenylbutyl)benzamide
CID 60657146
2-bromo-5-fluoro-N-(1-phenylbutyl)benzamide
CID 60667425
2-amino-5-fluoro-N-(1-phenylbutyl)benzamide
CID 43708581
3-ethyl-1-methyl-N-(1-phenylbutyl)pyrazole-4-carboxamide
CID 166195891
6-bromo-N-(1-phenylbutyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 56728788
1-phenylbutylurea
CID 2852079
2-bromo-N-[(1S)-2-hydroxy-1-phenylethyl]pyridine-3-carboxamide
CID 103945105
methyl (2S)-2-[(2-fluoropyridine-3-carbonyl)amino]propanoate
CID 107358613
2-fluoro-N-(3-hydroxy-1-phenylpropyl)-3-methylbenzamide
CID 75496576
2-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)pyridine-3-carboxamide
CID 107358920
2-bromo-4-chloro-N-(1-phenylbutyl)benzamide
CID 107988137

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(1-phenylbutyl)pyridine-3-carboxamide?
The IUPAC name of 2-fluoro-N-(1-phenylbutyl)pyridine-3-carboxamide (CID 107358466) is 2-fluoro-N-(1-phenylbutyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-fluoro-N-(1-phenylbutyl)pyridine-3-carboxamide?
The canonical SMILES for 2-fluoro-N-(1-phenylbutyl)pyridine-3-carboxamide is CCCC(NC(=O)c1cccnc1F)c1ccccc1.
What is the InChIKey of 2-fluoro-N-(1-phenylbutyl)pyridine-3-carboxamide?
The InChIKey is LDJHQHWLOJCBMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c1-2-7-14(12-8-4-3-5-9-12)19-16(20)13-10-6-11-18-15(13)17/h3-6,8-11,14H,2,7H2,1H3,(H,19,20).
What are the key properties of 2-fluoro-N-(1-phenylbutyl)pyridine-3-carboxamide?
2-fluoro-N-(1-phenylbutyl)pyridine-3-carboxamide has a molecular weight of 272.32 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(1-phenylbutyl)pyridine-3-carboxamide is sourced from PubChem (CID 107358466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).