2-(aminomethyl)-N-(5-fluoro-3-pyridinyl)cyclopentane-1-carboxamide

C12H16FN3O — CID 114254668

IUPAC2-(aminomethyl)-N-(5-fluoro-3-pyridinyl)cyclopentane-1-carboxamide
SMILESNCC1CCCC1C(=O)Nc1cncc(F)c1
InChIInChI=1S/C12H16FN3O/c13-9-4-10(7-15-6-9)16-12(17)11-3-1-2-8(11)5-14/h4,6-8,11H,1-3,5,14H2,(H,16,17)
InChIKeyVXHSHIOMOFJHSD-UHFFFAOYSA-N
MW237.28 g/mol
LogP1.53
Rot. Bonds3

About 2-(aminomethyl)-N-(5-fluoro-3-pyridinyl)cyclopentane-1-carboxamide

2-(aminomethyl)-N-(5-fluoro-3-pyridinyl)cyclopentane-1-carboxamide (PubChem CID 114254668) has the molecular formula C12H16FN3O and a molecular weight of 237.28 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(5-fluoro-3-pyridinyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(5-fluoro-3-pyridinyl)cyclopentane-1-carboxamide
PubChem CID114254668
Molecular FormulaC12H16FN3O
Molecular Weight237.28 g/mol
Exact Mass237.13
IUPAC Name2-(aminomethyl)-N-(5-fluoro-3-pyridinyl)cyclopentane-1-carboxamide
SMILESNCC1CCCC1C(=O)Nc1cncc(F)c1
InChIInChI=1S/C12H16FN3O/c13-9-4-10(7-15-6-9)16-12(17)11-3-1-2-8(11)5-14/h4,6-8,11H,1-3,5,14H2,(H,16,17)
InChIKeyVXHSHIOMOFJHSD-UHFFFAOYSA-N
XLogP1.53
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N-(5-bromo-3-pyridinyl)cyclopentane-1-carboxamide
CID 114222312
2-(aminomethyl)-N-(3-bromo-5-methylphenyl)cyclohexane-1-carboxamide
CID 107583536
(3R)-N-(5-fluoro-3-pyridinyl)thiolane-3-carboxamide
CID 129349225
2-(aminomethyl)-N-(3-chloro-4-hydroxyphenyl)cyclohexane-1-carboxamide
CID 107679848
2-(aminomethyl)-N-(4-chloro-3-methoxyphenyl)cyclopentane-1-carboxamide
CID 107621850
(2S,3R)-N-(5-fluoro-3-pyridinyl)-3-methyloxolane-2-carboxamide
CID 126793790
(3aS,7aR)-N-(5-fluoro-3-pyridinyl)-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxamide
CID 128625378
N-(5-fluoro-3-pyridinyl)-2,2-dimethylpropanamide
CID 86726332
2-(aminomethyl)-N-(4-bromo-3-methoxyphenyl)cyclohexane-1-carboxamide
CID 82868300
2-(aminomethyl)-N-(2-methyl-3-pyridinyl)cyclopentane-1-carboxamide
CID 79043281
2-(aminomethyl)-N-(2-bromo-5-methylphenyl)cyclopentane-1-carboxamide
CID 82756721
2-(aminomethyl)-N-(2-chloro-5-methylphenyl)cyclopentane-1-carboxamide
CID 113269199

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(5-fluoro-3-pyridinyl)cyclopentane-1-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-(5-fluoro-3-pyridinyl)cyclopentane-1-carboxamide (CID 114254668) is 2-(aminomethyl)-N-(5-fluoro-3-pyridinyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-(5-fluoro-3-pyridinyl)cyclopentane-1-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-(5-fluoro-3-pyridinyl)cyclopentane-1-carboxamide is NCC1CCCC1C(=O)Nc1cncc(F)c1.
What is the InChIKey of 2-(aminomethyl)-N-(5-fluoro-3-pyridinyl)cyclopentane-1-carboxamide?
The InChIKey is VXHSHIOMOFJHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O/c13-9-4-10(7-15-6-9)16-12(17)11-3-1-2-8(11)5-14/h4,6-8,11H,1-3,5,14H2,(H,16,17).
What are the key properties of 2-(aminomethyl)-N-(5-fluoro-3-pyridinyl)cyclopentane-1-carboxamide?
2-(aminomethyl)-N-(5-fluoro-3-pyridinyl)cyclopentane-1-carboxamide has a molecular weight of 237.28 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(5-fluoro-3-pyridinyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 114254668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).