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

C13H17FN2O — CID 107412464

IUPAC6-fluoro-N-[(3-methylcyclopentyl)methyl]pyridine-2-carboxamide
SMILESCC1CCC(CNC(=O)c2cccc(F)n2)C1
InChIInChI=1S/C13H17FN2O/c1-9-5-6-10(7-9)8-15-13(17)11-3-2-4-12(14)16-11/h2-4,9-10H,5-8H2,1H3,(H,15,17)
InChIKeyGTKDNLPSOIKNPU-UHFFFAOYSA-N
MW236.29 g/mol
LogP2.39
Rot. Bonds3

About 6-fluoro-N-[(3-methylcyclopentyl)methyl]pyridine-2-carboxamide

6-fluoro-N-[(3-methylcyclopentyl)methyl]pyridine-2-carboxamide (PubChem CID 107412464) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is 6-fluoro-N-[(3-methylcyclopentyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-[(3-methylcyclopentyl)methyl]pyridine-2-carboxamide
PubChem CID107412464
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Name6-fluoro-N-[(3-methylcyclopentyl)methyl]pyridine-2-carboxamide
SMILESCC1CCC(CNC(=O)c2cccc(F)n2)C1
InChIInChI=1S/C13H17FN2O/c1-9-5-6-10(7-9)8-15-13(17)11-3-2-4-12(14)16-11/h2-4,9-10H,5-8H2,1H3,(H,15,17)
InChIKeyGTKDNLPSOIKNPU-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

N-(cyclopentylmethyl)-6-fluoropyridine-2-carboxamide
CID 115496783
6-amino-N-[(3-methylcyclohexyl)methyl]pyridine-2-carboxamide
CID 103832143
2-fluoro-N-[(3-methylcyclopentyl)methyl]pyridine-4-carboxamide
CID 107412485
6-fluoro-N-[[2-(hydroxymethyl)cyclopentyl]methyl]pyridine-2-carboxamide
CID 115497967
6-fluoro-N-[(5-oxopyrrolidin-2-yl)methyl]pyridine-2-carboxamide
CID 115497910
2-amino-N-[(3-methylcyclopentyl)methyl]-1,3-thiazole-4-carboxamide
CID 107413079
4,5-difluoro-2-[(3-methylcyclopentyl)methylcarbamoyl]benzoic acid
CID 107411339
N-[(4-methylcyclohexyl)methyl]pyridine-2-carboxamide
CID 142228338
6-bromo-N-[(3-hydroxycyclopentyl)methyl]pyridine-2-carboxamide
CID 103279976
6-fluoro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]pyridine-2-carboxamide
CID 113323631
6-fluoro-N-pentylpyridine-2-carboxamide
CID 115496637
2-[(6-fluoropyridine-2-carbonyl)amino]acetic acid
CID 115496286

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[(3-methylcyclopentyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 6-fluoro-N-[(3-methylcyclopentyl)methyl]pyridine-2-carboxamide (CID 107412464) is 6-fluoro-N-[(3-methylcyclopentyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-fluoro-N-[(3-methylcyclopentyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 6-fluoro-N-[(3-methylcyclopentyl)methyl]pyridine-2-carboxamide is CC1CCC(CNC(=O)c2cccc(F)n2)C1.
What is the InChIKey of 6-fluoro-N-[(3-methylcyclopentyl)methyl]pyridine-2-carboxamide?
The InChIKey is GTKDNLPSOIKNPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c1-9-5-6-10(7-9)8-15-13(17)11-3-2-4-12(14)16-11/h2-4,9-10H,5-8H2,1H3,(H,15,17).
What are the key properties of 6-fluoro-N-[(3-methylcyclopentyl)methyl]pyridine-2-carboxamide?
6-fluoro-N-[(3-methylcyclopentyl)methyl]pyridine-2-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 6-fluoro-N-[(3-methylcyclopentyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 107412464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).