N-(2-cyclopentyl-2-hydroxyethyl)-2-methylpyridine-3-carboxamide

C14H20N2O2 — CID 111425985

IUPACN-(2-cyclopentyl-2-hydroxyethyl)-2-methylpyridine-3-carboxamide
SMILESCc1ncccc1C(=O)NCC(O)C1CCCC1
InChIInChI=1S/C14H20N2O2/c1-10-12(7-4-8-15-10)14(18)16-9-13(17)11-5-2-3-6-11/h4,7-8,11,13,17H,2-3,5-6,9H2,1H3,(H,16,18)
InChIKeyFHNPBTHPCXBULX-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.67
Rot. Bonds4

About N-(2-cyclopentyl-2-hydroxyethyl)-2-methylpyridine-3-carboxamide

N-(2-cyclopentyl-2-hydroxyethyl)-2-methylpyridine-3-carboxamide (PubChem CID 111425985) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-(2-cyclopentyl-2-hydroxyethyl)-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyclopentyl-2-hydroxyethyl)-2-methylpyridine-3-carboxamide
PubChem CID111425985
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-(2-cyclopentyl-2-hydroxyethyl)-2-methylpyridine-3-carboxamide
SMILESCc1ncccc1C(=O)NCC(O)C1CCCC1
InChIInChI=1S/C14H20N2O2/c1-10-12(7-4-8-15-10)14(18)16-9-13(17)11-5-2-3-6-11/h4,7-8,11,13,17H,2-3,5-6,9H2,1H3,(H,16,18)
InChIKeyFHNPBTHPCXBULX-UHFFFAOYSA-N
XLogP1.67
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclohexylmethyl)nicotinamide
CID 2990659
N-(2-hydroxyethyl)nicotinamide
CID 72663
6-Methyl-N-(3-phenylacetylamino-propyl)-nicotinamide
CID 6498664
5-(2-cyclopentylethynyl)-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]pyridine-2-carboxamide
CID 72713856
Hydroxyethylamine-based inhibitor 11b
CID 6539262
Hydroxyethylamine-based inhibitor 11d
CID 6539264
(2S)-N-[(2S,3S)-4-{[(1R)-1-carbamoyl-2-phenylethyl]amino}-3-hydroxy-1-phenylbutan-2-yl]-3-methyl-2-(pyridin-2-ylformamido)butanamide
CID 6539265
6-[2-(3-fluorophenyl)ethynyl]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]pyridine-3-carboxamide
CID 53384860
[(1R)-3-methyl-1-[3-(5-oxo-1,6-naphthyridin-6-yl)propanoylamino]butyl]boronic acid
CID 90645047
(E)-N-(3-(dimethylamino)propyl)-6-((hydroxyimino)methyl)nicotinamide
CID 135455076
6-[(E)-(hydroxyimino)methyl]-N-(tetrahydrofuran-2-ylmethyl)pyridine-3-carboxamide
CID 135485429
(E)-N-(3-aminopropyl)-6-((hydroxyimino)methyl)nicotinamide
CID 135455155

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentyl-2-hydroxyethyl)-2-methylpyridine-3-carboxamide?
The IUPAC name of N-(2-cyclopentyl-2-hydroxyethyl)-2-methylpyridine-3-carboxamide (CID 111425985) is N-(2-cyclopentyl-2-hydroxyethyl)-2-methylpyridine-3-carboxamide.
What is the SMILES notation for N-(2-cyclopentyl-2-hydroxyethyl)-2-methylpyridine-3-carboxamide?
The canonical SMILES for N-(2-cyclopentyl-2-hydroxyethyl)-2-methylpyridine-3-carboxamide is Cc1ncccc1C(=O)NCC(O)C1CCCC1.
What is the InChIKey of N-(2-cyclopentyl-2-hydroxyethyl)-2-methylpyridine-3-carboxamide?
The InChIKey is FHNPBTHPCXBULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10-12(7-4-8-15-10)14(18)16-9-13(17)11-5-2-3-6-11/h4,7-8,11,13,17H,2-3,5-6,9H2,1H3,(H,16,18).
What are the key properties of N-(2-cyclopentyl-2-hydroxyethyl)-2-methylpyridine-3-carboxamide?
N-(2-cyclopentyl-2-hydroxyethyl)-2-methylpyridine-3-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentyl-2-hydroxyethyl)-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 111425985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).