N-(3,3-dimethylcyclopentyl)-2-methylsulfanylpyridine-3-carboxamide

C14H20N2OS — CID 113345445

IUPACN-(3,3-dimethylcyclopentyl)-2-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)NC1CCC(C)(C)C1
InChIInChI=1S/C14H20N2OS/c1-14(2)7-6-10(9-14)16-12(17)11-5-4-8-15-13(11)18-3/h4-5,8,10H,6-7,9H2,1-3H3,(H,16,17)
InChIKeyUHFZFVXLCQKEBT-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.11
Rot. Bonds3

About N-(3,3-dimethylcyclopentyl)-2-methylsulfanylpyridine-3-carboxamide

N-(3,3-dimethylcyclopentyl)-2-methylsulfanylpyridine-3-carboxamide (PubChem CID 113345445) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is N-(3,3-dimethylcyclopentyl)-2-methylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3,3-dimethylcyclopentyl)-2-methylsulfanylpyridine-3-carboxamide
PubChem CID113345445
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC NameN-(3,3-dimethylcyclopentyl)-2-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)NC1CCC(C)(C)C1
InChIInChI=1S/C14H20N2OS/c1-14(2)7-6-10(9-14)16-12(17)11-5-4-8-15-13(11)18-3/h4-5,8,10H,6-7,9H2,1-3H3,(H,16,17)
InChIKeyUHFZFVXLCQKEBT-UHFFFAOYSA-N
XLogP3.11
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2-methylsulfanylpyridine-3-carboxamide
CID 26736800
N-[(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-methylsulfanylpyridine-3-carboxamide
CID 124783105
N-(3,3-dimethylcyclopentyl)-2,3-difluoropyridine-4-carboxamide
CID 105381670
N-(3,3-dimethylcyclopentyl)quinoline-6-carboxamide
CID 115881808
2-tert-butyl-N-(3,3-dimethylcyclopentyl)benzamide
CID 114550285
2-methylsulfanyl-N-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]pyridine-3-carboxamide
CID 99875589
N-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-2-methylsulfanylpyridine-3-carboxamide
CID 42463239
2-amino-N-(3,3,5,5-tetramethylcyclohexyl)pyridine-3-carboxamide
CID 103968313
N-(3,3-dimethylcyclopentyl)-1-benzothiophene-3-carboxamide
CID 114550457
1-[(2-methylsulfanylpyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 43351170
N-ethyl-2-methylsulfanylpyridine-3-carboxamide
CID 18712295
2-chloro-N-(3,3-dimethylcyclopentyl)-4,5-difluorobenzamide
CID 115880901

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylcyclopentyl)-2-methylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-(3,3-dimethylcyclopentyl)-2-methylsulfanylpyridine-3-carboxamide (CID 113345445) is N-(3,3-dimethylcyclopentyl)-2-methylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-(3,3-dimethylcyclopentyl)-2-methylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-(3,3-dimethylcyclopentyl)-2-methylsulfanylpyridine-3-carboxamide is CSc1ncccc1C(=O)NC1CCC(C)(C)C1.
What is the InChIKey of N-(3,3-dimethylcyclopentyl)-2-methylsulfanylpyridine-3-carboxamide?
The InChIKey is UHFZFVXLCQKEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-14(2)7-6-10(9-14)16-12(17)11-5-4-8-15-13(11)18-3/h4-5,8,10H,6-7,9H2,1-3H3,(H,16,17).
What are the key properties of N-(3,3-dimethylcyclopentyl)-2-methylsulfanylpyridine-3-carboxamide?
N-(3,3-dimethylcyclopentyl)-2-methylsulfanylpyridine-3-carboxamide has a molecular weight of 264.39 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylcyclopentyl)-2-methylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 113345445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).