(3-ethyl-4-pyridinyl)-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]methanone

C18H26N2O2 — CID 128964092

IUPAC(3-ethyl-4-pyridinyl)-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]methanone
SMILESCCc1cnccc1C(=O)N1CCCC1C1CCCCC1O
InChIInChI=1S/C18H26N2O2/c1-2-13-12-19-10-9-14(13)18(22)20-11-5-7-16(20)15-6-3-4-8-17(15)21/h9-10,12,15-17,21H,2-8,11H2,1H3
InChIKeyXBBQYBVJWMSNAJ-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.80
Rot. Bonds3

About (3-ethyl-4-pyridinyl)-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]methanone

(3-ethyl-4-pyridinyl)-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]methanone (PubChem CID 128964092) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is (3-ethyl-4-pyridinyl)-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3-ethyl-4-pyridinyl)-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]methanone
PubChem CID128964092
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name(3-ethyl-4-pyridinyl)-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]methanone
SMILESCCc1cnccc1C(=O)N1CCCC1C1CCCCC1O
InChIInChI=1S/C18H26N2O2/c1-2-13-12-19-10-9-14(13)18(22)20-11-5-7-16(20)15-6-3-4-8-17(15)21/h9-10,12,15-17,21H,2-8,11H2,1H3
InChIKeyXBBQYBVJWMSNAJ-UHFFFAOYSA-N
XLogP2.80
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 79546610
(1-tert-butyl-5-ethylpyrazol-4-yl)-[(2R)-2-[(1R,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]methanone
CID 100701114
(1-tert-butyl-5-ethylpyrazol-4-yl)-[(2R)-2-[(1S,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]methanone
CID 129447475
(3-ethyl-1-methylpyrazol-4-yl)-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]methanone
CID 102810898
[(2R)-2-[(1S,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-[2-(methoxymethyl)phenyl]methanone
CID 100699782
1-[(2R)-2-[(1S,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-2-pyridin-4-ylethanone
CID 129480937
[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 103120402
7-[2-(2-hydroxycyclohexyl)piperidine-1-carbonyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one
CID 167990629
[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 79544381
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-[3-(ethylamino)-4-pyridinyl]methanone
CID 105070449
[2-(2-hydroxycyclopentyl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 79545074
(3S)-N-ethyl-1-(3-ethylpyridine-4-carbonyl)piperidine-3-carboxamide
CID 97336628

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-4-pyridinyl)-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (3-ethyl-4-pyridinyl)-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]methanone (CID 128964092) is (3-ethyl-4-pyridinyl)-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (3-ethyl-4-pyridinyl)-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (3-ethyl-4-pyridinyl)-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]methanone is CCc1cnccc1C(=O)N1CCCC1C1CCCCC1O.
What is the InChIKey of (3-ethyl-4-pyridinyl)-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]methanone?
The InChIKey is XBBQYBVJWMSNAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-2-13-12-19-10-9-14(13)18(22)20-11-5-7-16(20)15-6-3-4-8-17(15)21/h9-10,12,15-17,21H,2-8,11H2,1H3.
What are the key properties of (3-ethyl-4-pyridinyl)-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]methanone?
(3-ethyl-4-pyridinyl)-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]methanone has a molecular weight of 302.42 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-4-pyridinyl)-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 128964092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).