(6-chloropyrazin-2-yl)-(3,3-diethylpyrrolidin-1-yl)methanone

C13H18ClN3O — CID 106551507

IUPAC(6-chloropyrazin-2-yl)-(3,3-diethylpyrrolidin-1-yl)methanone
SMILESCCC1(CC)CCN(C(=O)c2cncc(Cl)n2)C1
InChIInChI=1S/C13H18ClN3O/c1-3-13(4-2)5-6-17(9-13)12(18)10-7-15-8-11(14)16-10/h7-8H,3-6,9H2,1-2H3
InChIKeyQUJQMEWVLIWRTD-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.78
Rot. Bonds3

About (6-chloropyrazin-2-yl)-(3,3-diethylpyrrolidin-1-yl)methanone

(6-chloropyrazin-2-yl)-(3,3-diethylpyrrolidin-1-yl)methanone (PubChem CID 106551507) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is (6-chloropyrazin-2-yl)-(3,3-diethylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(6-chloropyrazin-2-yl)-(3,3-diethylpyrrolidin-1-yl)methanone
PubChem CID106551507
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC Name(6-chloropyrazin-2-yl)-(3,3-diethylpyrrolidin-1-yl)methanone
SMILESCCC1(CC)CCN(C(=O)c2cncc(Cl)n2)C1
InChIInChI=1S/C13H18ClN3O/c1-3-13(4-2)5-6-17(9-13)12(18)10-7-15-8-11(14)16-10/h7-8H,3-6,9H2,1-2H3
InChIKeyQUJQMEWVLIWRTD-UHFFFAOYSA-N
XLogP2.78
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(6-chloropyrazine-2-carbonyl)piperazin-1-yl]ethanone
CID 103186798
(6-chloropyrazin-2-yl)-(4-ethylpiperidin-1-yl)methanone
CID 106551174
(6-chloropyrazin-2-yl)-(3,3-difluoroazetidin-1-yl)methanone
CID 146001430
(6-chloropyrazin-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 103186815
(6-chloropyrazin-2-yl)-thiomorpholin-4-ylmethanone
CID 103187110
(6-chloropyrazin-2-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 103337443
(6-chloropyrazin-2-yl)-piperazin-1-ylmethanone;hydrochloride
CID 118279345
(6-chloropyrazin-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 106550918
1-(6-chloropyrazine-2-carbonyl)-2-methylpyrrolidine-2-carboxylic acid
CID 114035196
(3,3-diethylpyrrolidin-1-yl)-(2,6-dihydroxyphenyl)methanone
CID 103890618
(2,6-dichloro-3-pyridinyl)-(4,4-diethylpiperidin-1-yl)methanone
CID 106993810
(6-chloropyrazin-2-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 106550933

Frequently Asked Questions

What is the IUPAC name of (6-chloropyrazin-2-yl)-(3,3-diethylpyrrolidin-1-yl)methanone?
The IUPAC name of (6-chloropyrazin-2-yl)-(3,3-diethylpyrrolidin-1-yl)methanone (CID 106551507) is (6-chloropyrazin-2-yl)-(3,3-diethylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (6-chloropyrazin-2-yl)-(3,3-diethylpyrrolidin-1-yl)methanone?
The canonical SMILES for (6-chloropyrazin-2-yl)-(3,3-diethylpyrrolidin-1-yl)methanone is CCC1(CC)CCN(C(=O)c2cncc(Cl)n2)C1.
What is the InChIKey of (6-chloropyrazin-2-yl)-(3,3-diethylpyrrolidin-1-yl)methanone?
The InChIKey is QUJQMEWVLIWRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O/c1-3-13(4-2)5-6-17(9-13)12(18)10-7-15-8-11(14)16-10/h7-8H,3-6,9H2,1-2H3.
What are the key properties of (6-chloropyrazin-2-yl)-(3,3-diethylpyrrolidin-1-yl)methanone?
(6-chloropyrazin-2-yl)-(3,3-diethylpyrrolidin-1-yl)methanone has a molecular weight of 267.76 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloropyrazin-2-yl)-(3,3-diethylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 106551507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).