N-(2,2-dimethylcyclopentyl)-6-fluoropyridine-2-carboxamide

C13H17FN2O — CID 115498008

IUPACN-(2,2-dimethylcyclopentyl)-6-fluoropyridine-2-carboxamide
SMILESCC1(C)CCCC1NC(=O)c1cccc(F)n1
InChIInChI=1S/C13H17FN2O/c1-13(2)8-4-6-10(13)16-12(17)9-5-3-7-11(14)15-9/h3,5,7,10H,4,6,8H2,1-2H3,(H,16,17)
InChIKeyZXUNMNMSIPHGHC-UHFFFAOYSA-N
MW236.29 g/mol
LogP2.53
Rot. Bonds2

About N-(2,2-dimethylcyclopentyl)-6-fluoropyridine-2-carboxamide

N-(2,2-dimethylcyclopentyl)-6-fluoropyridine-2-carboxamide (PubChem CID 115498008) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is N-(2,2-dimethylcyclopentyl)-6-fluoropyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethylcyclopentyl)-6-fluoropyridine-2-carboxamide
PubChem CID115498008
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC NameN-(2,2-dimethylcyclopentyl)-6-fluoropyridine-2-carboxamide
SMILESCC1(C)CCCC1NC(=O)c1cccc(F)n1
InChIInChI=1S/C13H17FN2O/c1-13(2)8-4-6-10(13)16-12(17)9-5-3-7-11(14)15-9/h3,5,7,10H,4,6,8H2,1-2H3,(H,16,17)
InChIKeyZXUNMNMSIPHGHC-UHFFFAOYSA-N
XLogP2.53
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 52.53
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-(2,2-dimethylcyclopentyl)-2-fluoropyridine-4-carboxamide
CID 79833930
5-[(2,2-dimethylcyclopentyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120692079
6-fluoro-N-(2-methylcycloheptyl)pyridine-2-carboxamide
CID 115497960
3-[(2,2-dimethylcyclopentyl)carbamoyl]benzoic acid
CID 79872488
8-bromo-N-(2,2-dimethylcyclopentyl)-1,6-naphthyridine-2-carboxamide
CID 167795548
6-fluoro-N-(2-methyloxolan-3-yl)pyridine-2-carboxamide
CID 82726069
N-(2,2-dimethylcyclopentyl)-4-hydroxybenzamide
CID 79878341
6-fluoro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]pyridine-2-carboxamide
CID 113323631
N-(2,3-dihydro-1H-inden-2-yl)-6-fluoropyridine-2-carboxamide
CID 113442142
3-(2-aminoethyl)-N-(2,2-dimethylcyclopentyl)benzamide
CID 79856078
6-fluoro-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)pyridine-2-carboxamide
CID 115497964
N-(cyclopentylmethyl)-6-fluoropyridine-2-carboxamide
CID 115496783

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylcyclopentyl)-6-fluoropyridine-2-carboxamide?
The IUPAC name of N-(2,2-dimethylcyclopentyl)-6-fluoropyridine-2-carboxamide (CID 115498008) is N-(2,2-dimethylcyclopentyl)-6-fluoropyridine-2-carboxamide.
What is the SMILES notation for N-(2,2-dimethylcyclopentyl)-6-fluoropyridine-2-carboxamide?
The canonical SMILES for N-(2,2-dimethylcyclopentyl)-6-fluoropyridine-2-carboxamide is CC1(C)CCCC1NC(=O)c1cccc(F)n1.
What is the InChIKey of N-(2,2-dimethylcyclopentyl)-6-fluoropyridine-2-carboxamide?
The InChIKey is ZXUNMNMSIPHGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c1-13(2)8-4-6-10(13)16-12(17)9-5-3-7-11(14)15-9/h3,5,7,10H,4,6,8H2,1-2H3,(H,16,17).
What are the key properties of N-(2,2-dimethylcyclopentyl)-6-fluoropyridine-2-carboxamide?
N-(2,2-dimethylcyclopentyl)-6-fluoropyridine-2-carboxamide has a molecular weight of 236.29 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylcyclopentyl)-6-fluoropyridine-2-carboxamide is sourced from PubChem (CID 115498008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).