2-fluoro-N-(2-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide

C16H16FN3O — CID 107358573

IUPAC2-fluoro-N-(2-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccccc1N1CCCC1)c1cccnc1F
InChIInChI=1S/C16H16FN3O/c17-15-12(6-5-9-18-15)16(21)19-13-7-1-2-8-14(13)20-10-3-4-11-20/h1-2,5-9H,3-4,10-11H2,(H,19,21)
InChIKeyDEYASMOYCWJNFZ-UHFFFAOYSA-N
MW285.32 g/mol
LogP3.07
Rot. Bonds3

About 2-fluoro-N-(2-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide

2-fluoro-N-(2-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide (PubChem CID 107358573) has the molecular formula C16H16FN3O and a molecular weight of 285.32 g/mol. Its IUPAC name is 2-fluoro-N-(2-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-fluoro-N-(2-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide
PubChem CID107358573
Molecular FormulaC16H16FN3O
Molecular Weight285.32 g/mol
Exact Mass285.13
IUPAC Name2-fluoro-N-(2-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccccc1N1CCCC1)c1cccnc1F
InChIInChI=1S/C16H16FN3O/c17-15-12(6-5-9-18-15)16(21)19-13-7-1-2-8-14(13)20-10-3-4-11-20/h1-2,5-9H,3-4,10-11H2,(H,19,21)
InChIKeyDEYASMOYCWJNFZ-UHFFFAOYSA-N
XLogP3.07
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-iodo-N-(2-piperidin-1-ylphenyl)benzamide
CID 1308785
2-amino-N-(2-morpholin-4-ylphenyl)pyridine-3-carboxamide
CID 110862415
2-(dimethylamino)-N-(2-morpholin-4-ylphenyl)pyridine-3-carboxamide
CID 110299292
2-iodo-N-(2-pyrrolidin-1-yl-3-pyridinyl)benzamide
CID 60788894
N-[2-(4-acetylpiperazin-1-yl)phenyl]-2-chloropyridine-3-carboxamide
CID 17102731
2-(azepan-1-yl)-N-(2-chlorophenyl)pyridine-3-carboxamide
CID 84576263
N-[2-(azepan-1-yl)phenyl]pyridine-3-carboxamide
CID 38282179
5-[(2-pyrrolidin-1-ylphenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120684789
N-[2-(azepan-1-yl)phenyl]benzamide
CID 24652732
2-ethoxy-N-[2-(4-methylpiperazin-1-yl)phenyl]pyridine-3-carboxamide
CID 18189885
2-fluoro-N-[2-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide
CID 107363029
[4-(2-chlorophenyl)piperazin-1-yl]-(2-fluoro-3-pyridinyl)methanone
CID 70315409

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide?
The IUPAC name of 2-fluoro-N-(2-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide (CID 107358573) is 2-fluoro-N-(2-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-fluoro-N-(2-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 2-fluoro-N-(2-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide is O=C(Nc1ccccc1N1CCCC1)c1cccnc1F.
What is the InChIKey of 2-fluoro-N-(2-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide?
The InChIKey is DEYASMOYCWJNFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O/c17-15-12(6-5-9-18-15)16(21)19-13-7-1-2-8-14(13)20-10-3-4-11-20/h1-2,5-9H,3-4,10-11H2,(H,19,21).
What are the key properties of 2-fluoro-N-(2-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide?
2-fluoro-N-(2-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide has a molecular weight of 285.32 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(2-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 107358573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).