2-fluoro-N-[(3-methylcyclopentyl)methyl]pyridine-4-carboxamide

C13H17FN2O — CID 107412485

IUPAC2-fluoro-N-[(3-methylcyclopentyl)methyl]pyridine-4-carboxamide
SMILESCC1CCC(CNC(=O)c2ccnc(F)c2)C1
InChIInChI=1S/C13H17FN2O/c1-9-2-3-10(6-9)8-16-13(17)11-4-5-15-12(14)7-11/h4-5,7,9-10H,2-3,6,8H2,1H3,(H,16,17)
InChIKeyOMCAXPXVBFHWLV-UHFFFAOYSA-N
MW236.29 g/mol
LogP2.39
Rot. Bonds3

About 2-fluoro-N-[(3-methylcyclopentyl)methyl]pyridine-4-carboxamide

2-fluoro-N-[(3-methylcyclopentyl)methyl]pyridine-4-carboxamide (PubChem CID 107412485) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is 2-fluoro-N-[(3-methylcyclopentyl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-fluoro-N-[(3-methylcyclopentyl)methyl]pyridine-4-carboxamide
PubChem CID107412485
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Name2-fluoro-N-[(3-methylcyclopentyl)methyl]pyridine-4-carboxamide
SMILESCC1CCC(CNC(=O)c2ccnc(F)c2)C1
InChIInChI=1S/C13H17FN2O/c1-9-2-3-10(6-9)8-16-13(17)11-4-5-15-12(14)7-11/h4-5,7,9-10H,2-3,6,8H2,1H3,(H,16,17)
InChIKeyOMCAXPXVBFHWLV-UHFFFAOYSA-N
XLogP2.39
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N-[(3-hydroxycyclohexyl)methyl]pyridine-4-carboxamide
CID 103690727
N-[(3-methylcyclopentyl)methyl]-2-(propylamino)pyridine-4-carboxamide
CID 107415245
2-fluoro-N-[(2-methylcyclohexyl)methyl]pyridine-4-carboxamide
CID 55011733
N-[(3-chlorocyclopentyl)methyl]-2-methylpyridine-4-carboxamide
CID 106126288
N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-fluoropyridine-4-carboxamide
CID 63896737
6-fluoro-N-[(3-methylcyclopentyl)methyl]pyridine-2-carboxamide
CID 107412464
2-fluoro-N-(oxan-2-ylmethyl)pyridine-4-carboxamide
CID 55014520
2-(dimethylamino)-N-[(3-hydroxycyclopentyl)methyl]pyridine-4-carboxamide
CID 103280007
4-amino-3-methoxy-N-[(3-methylcyclopentyl)methyl]benzamide
CID 107411010
N-[[1-[(1R,2R)-2-(2,6-difluorophenyl)cyclopropanecarbonyl]piperidin-4-yl]methyl]-2-fluoropyridine-4-carboxamide
CID 58933843
N-[2-(cyclopropanecarbonylamino)ethyl]-2-fluoropyridine-4-carboxamide
CID 115598986
5,6-dichloro-N-[(3-methylcyclopentyl)methyl]pyridine-3-carboxamide
CID 107412465

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(3-methylcyclopentyl)methyl]pyridine-4-carboxamide?
The IUPAC name of 2-fluoro-N-[(3-methylcyclopentyl)methyl]pyridine-4-carboxamide (CID 107412485) is 2-fluoro-N-[(3-methylcyclopentyl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-fluoro-N-[(3-methylcyclopentyl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-fluoro-N-[(3-methylcyclopentyl)methyl]pyridine-4-carboxamide is CC1CCC(CNC(=O)c2ccnc(F)c2)C1.
What is the InChIKey of 2-fluoro-N-[(3-methylcyclopentyl)methyl]pyridine-4-carboxamide?
The InChIKey is OMCAXPXVBFHWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c1-9-2-3-10(6-9)8-16-13(17)11-4-5-15-12(14)7-11/h4-5,7,9-10H,2-3,6,8H2,1H3,(H,16,17).
What are the key properties of 2-fluoro-N-[(3-methylcyclopentyl)methyl]pyridine-4-carboxamide?
2-fluoro-N-[(3-methylcyclopentyl)methyl]pyridine-4-carboxamide has a molecular weight of 236.29 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(3-methylcyclopentyl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 107412485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).