1-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)cyclopentane-1-carboxamide

C18H19FN2O — CID 51155660

IUPAC1-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)cyclopentane-1-carboxamide
SMILESO=C(NCc1cccnc1)C1(c2ccc(F)cc2)CCCC1
InChIInChI=1S/C18H19FN2O/c19-16-7-5-15(6-8-16)18(9-1-2-10-18)17(22)21-13-14-4-3-11-20-12-14/h3-8,11-12H,1-2,9-10,13H2,(H,21,22)
InChIKeyWATOBLZMIYURFF-UHFFFAOYSA-N
MW298.36 g/mol
LogP3.35
Rot. Bonds4

About 1-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)cyclopentane-1-carboxamide

1-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)cyclopentane-1-carboxamide (PubChem CID 51155660) has the molecular formula C18H19FN2O and a molecular weight of 298.36 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)cyclopentane-1-carboxamide
PubChem CID51155660
Molecular FormulaC18H19FN2O
Molecular Weight298.36 g/mol
Exact Mass298.15
IUPAC Name1-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)cyclopentane-1-carboxamide
SMILESO=C(NCc1cccnc1)C1(c2ccc(F)cc2)CCCC1
InChIInChI=1S/C18H19FN2O/c19-16-7-5-15(6-8-16)18(9-1-2-10-18)17(22)21-13-14-4-3-11-20-12-14/h3-8,11-12H,1-2,9-10,13H2,(H,21,22)
InChIKeyWATOBLZMIYURFF-UHFFFAOYSA-N
XLogP3.35
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,1-N'-bis(pyridin-3-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108976772
N-[(4-fluorophenyl)methyl]-1-phenylcyclopropane-1-carboxamide
CID 2540117
1-(1,3-benzodioxol-5-yl)-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide
CID 113198842
N-[[4-(carbamoylamino)phenyl]methyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide
CID 55523814
1-(4-fluorophenyl)-N-[[3-(phenylmethoxymethyl)phenyl]methyl]cyclobutane-1-carboxamide
CID 60556255
1-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]cyclobutane-1-carboxamide
CID 110438220
1-(4-acetamidophenyl)-N-[(4-fluorophenyl)methyl]cyclobutane-1-carboxamide
CID 53110556
1-[4-(pyridin-3-ylmethylamino)phenyl]cyclobutane-1-carboxylic acid
CID 82539424
7-oxo-N,2-bis(pyridin-3-ylmethyl)azepane-2-carboxamide
CID 91919482
1-(4-fluorophenyl)-N-(4-phenylbutyl)cyclohexane-1-carboxamide
CID 58842299
1-(3-fluorophenyl)-N-(pyridin-4-ylmethyl)cyclobutane-1-carboxamide
CID 86920088
1-(4-fluorophenyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]cyclopentane-1-carboxamide
CID 55961922

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)cyclopentane-1-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)cyclopentane-1-carboxamide (CID 51155660) is 1-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)cyclopentane-1-carboxamide is O=C(NCc1cccnc1)C1(c2ccc(F)cc2)CCCC1.
What is the InChIKey of 1-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)cyclopentane-1-carboxamide?
The InChIKey is WATOBLZMIYURFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O/c19-16-7-5-15(6-8-16)18(9-1-2-10-18)17(22)21-13-14-4-3-11-20-12-14/h3-8,11-12H,1-2,9-10,13H2,(H,21,22).
What are the key properties of 1-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)cyclopentane-1-carboxamide?
1-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)cyclopentane-1-carboxamide has a molecular weight of 298.36 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 51155660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).