5-fluoro-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyridine-3-carboxamide

C17H18FN3O — CID 131894722

IUPAC5-fluoro-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccccc1CN1CCCC1)c1cncc(F)c1
InChIInChI=1S/C17H18FN3O/c18-15-9-14(10-19-11-15)17(22)20-16-6-2-1-5-13(16)12-21-7-3-4-8-21/h1-2,5-6,9-11H,3-4,7-8,12H2,(H,20,22)
InChIKeyZFMGJVRDILRMAZ-UHFFFAOYSA-N
MW299.35 g/mol
LogP3.07
Rot. Bonds4

About 5-fluoro-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyridine-3-carboxamide

5-fluoro-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyridine-3-carboxamide (PubChem CID 131894722) has the molecular formula C17H18FN3O and a molecular weight of 299.35 g/mol. Its IUPAC name is 5-fluoro-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyridine-3-carboxamide
PubChem CID131894722
Molecular FormulaC17H18FN3O
Molecular Weight299.35 g/mol
Exact Mass299.14
IUPAC Name5-fluoro-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccccc1CN1CCCC1)c1cncc(F)c1
InChIInChI=1S/C17H18FN3O/c18-15-9-14(10-19-11-15)17(22)20-16-6-2-1-5-13(16)12-21-7-3-4-8-21/h1-2,5-6,9-11H,3-4,7-8,12H2,(H,20,22)
InChIKeyZFMGJVRDILRMAZ-UHFFFAOYSA-N
XLogP3.07
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dimethyl-N-[2-(piperidin-1-ylmethyl)phenyl]pyridine-4-carboxamide
CID 131894977
4-(difluoromethylsulfanyl)-N-[2-(pyrrolidin-1-ylmethyl)phenyl]benzamide
CID 55676837
N-(2-ethylphenyl)-5-(piperidine-1-carbonyl)pyridine-3-carboxamide
CID 109102918
5-fluoro-N-(2-phenylphenyl)pyridine-3-carboxamide
CID 142723977
N-[2-(piperidin-1-ylmethyl)phenyl]prop-2-enamide
CID 139018823
5-fluoro-N-(2-sulfamoylphenyl)pyridine-3-carboxamide
CID 104786397
2-bromo-N-[2-(pyrrolidin-1-ylmethyl)phenyl]furan-3-carboxamide
CID 106853302
N-[2-(azepan-1-ylmethyl)phenyl]-1,6-dimethyl-2-oxopyridine-3-carboxamide
CID 46968682
4-(azepan-1-ylmethyl)-N-(2-ethylphenyl)benzamide
CID 43919325
5-chloro-N-[2-(pyrrolidin-1-ylmethyl)phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 80618473
4,4,4-trifluoro-N-[2-(pyrrolidin-1-ylmethyl)phenyl]butanamide
CID 131911207
5-chloro-1-[(4-fluorophenyl)methyl]-3-methyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyrazole-4-carboxamide
CID 55676715

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 5-fluoro-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyridine-3-carboxamide (CID 131894722) is 5-fluoro-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-fluoro-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 5-fluoro-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyridine-3-carboxamide is O=C(Nc1ccccc1CN1CCCC1)c1cncc(F)c1.
What is the InChIKey of 5-fluoro-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyridine-3-carboxamide?
The InChIKey is ZFMGJVRDILRMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O/c18-15-9-14(10-19-11-15)17(22)20-16-6-2-1-5-13(16)12-21-7-3-4-8-21/h1-2,5-6,9-11H,3-4,7-8,12H2,(H,20,22).
What are the key properties of 5-fluoro-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyridine-3-carboxamide?
5-fluoro-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyridine-3-carboxamide has a molecular weight of 299.35 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 131894722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).