3-[(4-fluorophenyl)methyl]-N-pyridin-4-ylpyrrolidine-1-carboxamide

C17H18FN3O — CID 138996907

IUPAC3-[(4-fluorophenyl)methyl]-N-pyridin-4-ylpyrrolidine-1-carboxamide
SMILESO=C(Nc1ccncc1)N1CCC(Cc2ccc(F)cc2)C1
InChIInChI=1S/C17H18FN3O/c18-15-3-1-13(2-4-15)11-14-7-10-21(12-14)17(22)20-16-5-8-19-9-6-16/h1-6,8-9,14H,7,10-12H2,(H,19,20,22)
InChIKeyKLCHNUSXTKSFNY-UHFFFAOYSA-N
MW299.35 g/mol
LogP3.32
Rot. Bonds3

About 3-[(4-fluorophenyl)methyl]-N-pyridin-4-ylpyrrolidine-1-carboxamide

3-[(4-fluorophenyl)methyl]-N-pyridin-4-ylpyrrolidine-1-carboxamide (PubChem CID 138996907) has the molecular formula C17H18FN3O and a molecular weight of 299.35 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-N-pyridin-4-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-N-pyridin-4-ylpyrrolidine-1-carboxamide
PubChem CID138996907
Molecular FormulaC17H18FN3O
Molecular Weight299.35 g/mol
Exact Mass299.14
IUPAC Name3-[(4-fluorophenyl)methyl]-N-pyridin-4-ylpyrrolidine-1-carboxamide
SMILESO=C(Nc1ccncc1)N1CCC(Cc2ccc(F)cc2)C1
InChIInChI=1S/C17H18FN3O/c18-15-3-1-13(2-4-15)11-14-7-10-21(12-14)17(22)20-16-5-8-19-9-6-16/h1-6,8-9,14H,7,10-12H2,(H,19,20,22)
InChIKeyKLCHNUSXTKSFNY-UHFFFAOYSA-N
XLogP3.32
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-N-(3,5-difluorophenyl)-3-(pyridin-4-ylmethyl)pyrrolidine-1-carboxamide
CID 164638725
3-amino-N-(4-fluorophenyl)pyrrolidine-1-carboxamide
CID 62068743
3-(2-aminoethyl)-N-(4-fluorophenyl)pyrrolidine-1-carboxamide
CID 114802239
3-benzyl-N-(3-fluoro-4-pyridinyl)pyrrolidine-1-carboxamide
CID 126768823
3-(4-benzylpiperidin-1-yl)-N-(4-fluorophenyl)azetidine-1-carboxamide
CID 23140030
4-benzyl-N-phenylpiperidine-1-carboxamide
CID 5064762
4-benzyl-N-(3-fluorophenyl)piperidine-1-carboxamide
CID 3570835
(3S)-N-[3-(ethylcarbamoyl)phenyl]-3-[(4-fluorophenyl)methyl]piperidine-1-carboxamide
CID 97444795
4-amino-N-(4-fluorophenyl)piperidine-1-carboxamide
CID 16773171
2-(4-fluorophenoxy)-1-[4-(pyridin-4-ylmethyl)piperidin-1-yl]ethanone
CID 110102862
3-[(2-chlorophenyl)methyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]pyrrolidine-1-carboxamide
CID 69070499
1-[2-[3-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-2-oxoethyl]cyclobutane-1-carboxylic acid
CID 120691973

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-N-pyridin-4-ylpyrrolidine-1-carboxamide?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-N-pyridin-4-ylpyrrolidine-1-carboxamide (CID 138996907) is 3-[(4-fluorophenyl)methyl]-N-pyridin-4-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-N-pyridin-4-ylpyrrolidine-1-carboxamide?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-N-pyridin-4-ylpyrrolidine-1-carboxamide is O=C(Nc1ccncc1)N1CCC(Cc2ccc(F)cc2)C1.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-N-pyridin-4-ylpyrrolidine-1-carboxamide?
The InChIKey is KLCHNUSXTKSFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O/c18-15-3-1-13(2-4-15)11-14-7-10-21(12-14)17(22)20-16-5-8-19-9-6-16/h1-6,8-9,14H,7,10-12H2,(H,19,20,22).
What are the key properties of 3-[(4-fluorophenyl)methyl]-N-pyridin-4-ylpyrrolidine-1-carboxamide?
3-[(4-fluorophenyl)methyl]-N-pyridin-4-ylpyrrolidine-1-carboxamide has a molecular weight of 299.35 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-N-pyridin-4-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 138996907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).