N-(2,2-dimethylcyclopentyl)-2-fluoropyridine-4-carboxamide

C13H17FN2O — CID 79833930

IUPACN-(2,2-dimethylcyclopentyl)-2-fluoropyridine-4-carboxamide
SMILESCC1(C)CCCC1NC(=O)c1ccnc(F)c1
InChIInChI=1S/C13H17FN2O/c1-13(2)6-3-4-10(13)16-12(17)9-5-7-15-11(14)8-9/h5,7-8,10H,3-4,6H2,1-2H3,(H,16,17)
InChIKeyKRPUNFWJAORDTK-UHFFFAOYSA-N
MW236.29 g/mol
LogP2.53
Rot. Bonds2

About N-(2,2-dimethylcyclopentyl)-2-fluoropyridine-4-carboxamide

N-(2,2-dimethylcyclopentyl)-2-fluoropyridine-4-carboxamide (PubChem CID 79833930) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is N-(2,2-dimethylcyclopentyl)-2-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethylcyclopentyl)-2-fluoropyridine-4-carboxamide
PubChem CID79833930
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC NameN-(2,2-dimethylcyclopentyl)-2-fluoropyridine-4-carboxamide
SMILESCC1(C)CCCC1NC(=O)c1ccnc(F)c1
InChIInChI=1S/C13H17FN2O/c1-13(2)6-3-4-10(13)16-12(17)9-5-7-15-11(14)8-9/h5,7-8,10H,3-4,6H2,1-2H3,(H,16,17)
InChIKeyKRPUNFWJAORDTK-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'}

Analyze N-(2,2-dimethylcyclopentyl)-2-fluoropyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclohexyl-2-fluoropyridine-4-carboxamide
CID 59355741
3-[(2,2-dimethylcyclopentyl)carbamoyl]benzoic acid
CID 79872488
N-(2,2-dimethylcyclopentyl)-4-hydroxybenzamide
CID 79878341
N-(2,2-dimethylcyclopentyl)-3,5-difluoro-4-hydrazinylbenzamide
CID 79873342
3-chloro-N-(2,2-dimethylcyclopentyl)-4-hydroxybenzamide
CID 79840670
N-(2,2-dimethylcyclopentyl)-6-fluoropyridine-2-carboxamide
CID 115498008
N-cyclohexyl-2-fluoropyridine-4-carboxamide;1,1-diiodoethane
CID 144683851
3-[(2,2-dimethylcyclohexyl)carbamoyl]benzoic acid
CID 79872227
N-(2,2-dimethylcyclopentyl)-6-hydrazinylpyridine-3-carboxamide
CID 79872506
3-amino-4-chloro-N-(2,2-dimethylcyclopentyl)benzamide
CID 79855162
N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-fluoropyridine-4-carboxamide
CID 90349705
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-fluoropyridine-4-carboxamide
CID 90349621

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylcyclopentyl)-2-fluoropyridine-4-carboxamide?
The IUPAC name of N-(2,2-dimethylcyclopentyl)-2-fluoropyridine-4-carboxamide (CID 79833930) is N-(2,2-dimethylcyclopentyl)-2-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-(2,2-dimethylcyclopentyl)-2-fluoropyridine-4-carboxamide?
The canonical SMILES for N-(2,2-dimethylcyclopentyl)-2-fluoropyridine-4-carboxamide is CC1(C)CCCC1NC(=O)c1ccnc(F)c1.
What is the InChIKey of N-(2,2-dimethylcyclopentyl)-2-fluoropyridine-4-carboxamide?
The InChIKey is KRPUNFWJAORDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c1-13(2)6-3-4-10(13)16-12(17)9-5-7-15-11(14)8-9/h5,7-8,10H,3-4,6H2,1-2H3,(H,16,17).
What are the key properties of N-(2,2-dimethylcyclopentyl)-2-fluoropyridine-4-carboxamide?
N-(2,2-dimethylcyclopentyl)-2-fluoropyridine-4-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)-2-fluoropyridine-4-carboxamide is sourced from PubChem (CID 79833930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).