(3-ethylpyrrolidin-1-yl)-(2-propan-2-yl-4-pyridinyl)methanone

C15H22N2O — CID 167547190

IUPAC(3-ethylpyrrolidin-1-yl)-(2-propan-2-yl-4-pyridinyl)methanone
SMILESCCC1CCN(C(=O)c2ccnc(C(C)C)c2)C1
InChIInChI=1S/C15H22N2O/c1-4-12-6-8-17(10-12)15(18)13-5-7-16-14(9-13)11(2)3/h5,7,9,11-12H,4,6,8,10H2,1-3H3
InChIKeyZZKBMVBQJIAKJI-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.08
Rot. Bonds3

About (3-ethylpyrrolidin-1-yl)-(2-propan-2-yl-4-pyridinyl)methanone

(3-ethylpyrrolidin-1-yl)-(2-propan-2-yl-4-pyridinyl)methanone (PubChem CID 167547190) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is (3-ethylpyrrolidin-1-yl)-(2-propan-2-yl-4-pyridinyl)methanone.

Molecular Properties

Compound Name(3-ethylpyrrolidin-1-yl)-(2-propan-2-yl-4-pyridinyl)methanone
PubChem CID167547190
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name(3-ethylpyrrolidin-1-yl)-(2-propan-2-yl-4-pyridinyl)methanone
SMILESCCC1CCN(C(=O)c2ccnc(C(C)C)c2)C1
InChIInChI=1S/C15H22N2O/c1-4-12-6-8-17(10-12)15(18)13-5-7-16-14(9-13)11(2)3/h5,7,9,11-12H,4,6,8,10H2,1-3H3
InChIKeyZZKBMVBQJIAKJI-UHFFFAOYSA-N
XLogP3.08
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-ethylpyrrolidin-1-yl)-(2-fluoro-4-pyridinyl)methanone
CID 115686935
(3-methylpiperidin-1-yl)-(2-propan-2-yl-4-pyridinyl)methanone
CID 167555398
(3,4-dihydroxyphenyl)-(3-ethylpyrrolidin-1-yl)methanone
CID 103957455
4-(3-ethylpiperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 112700662
(4,4-dimethylpiperidin-1-yl)-(2-propan-2-yl-4-pyridinyl)methanone
CID 167547191
(4-bromo-3-fluorophenyl)-(3-ethylpyrrolidin-1-yl)methanone
CID 112697956
(4-tert-butylphenyl)-(3-ethylpyrrolidin-1-yl)methanone
CID 159043850
(2-fluoro-4-pyridinyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 64570308
3-(3-ethylpyrrolidine-1-carbonyl)benzonitrile
CID 112697926
[2-(aminomethyl)-4-pyridinyl]-(3-propan-2-ylpyrrolidin-1-yl)methanone
CID 113417381
(3-ethyl-4-hydroxypiperidin-1-yl)-(2-methyl-4-pyridinyl)methanone
CID 106753502
(3-amino-3-methylpyrrolidin-1-yl)-(2-propan-2-yl-4-pyridinyl)methanone
CID 139360995

Frequently Asked Questions

What is the IUPAC name of (3-ethylpyrrolidin-1-yl)-(2-propan-2-yl-4-pyridinyl)methanone?
The IUPAC name of (3-ethylpyrrolidin-1-yl)-(2-propan-2-yl-4-pyridinyl)methanone (CID 167547190) is (3-ethylpyrrolidin-1-yl)-(2-propan-2-yl-4-pyridinyl)methanone.
What is the SMILES notation for (3-ethylpyrrolidin-1-yl)-(2-propan-2-yl-4-pyridinyl)methanone?
The canonical SMILES for (3-ethylpyrrolidin-1-yl)-(2-propan-2-yl-4-pyridinyl)methanone is CCC1CCN(C(=O)c2ccnc(C(C)C)c2)C1.
What is the InChIKey of (3-ethylpyrrolidin-1-yl)-(2-propan-2-yl-4-pyridinyl)methanone?
The InChIKey is ZZKBMVBQJIAKJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-4-12-6-8-17(10-12)15(18)13-5-7-16-14(9-13)11(2)3/h5,7,9,11-12H,4,6,8,10H2,1-3H3.
What are the key properties of (3-ethylpyrrolidin-1-yl)-(2-propan-2-yl-4-pyridinyl)methanone?
(3-ethylpyrrolidin-1-yl)-(2-propan-2-yl-4-pyridinyl)methanone has a molecular weight of 246.35 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylpyrrolidin-1-yl)-(2-propan-2-yl-4-pyridinyl)methanone is sourced from PubChem (CID 167547190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).