(2-ethyl-5-methylpyrrolidin-1-yl)-[5-(propylamino)pyrazin-2-yl]methanone

C15H24N4O — CID 107376681

IUPAC(2-ethyl-5-methylpyrrolidin-1-yl)-[5-(propylamino)pyrazin-2-yl]methanone
SMILESCCCNc1cnc(C(=O)N2C(C)CCC2CC)cn1
InChIInChI=1S/C15H24N4O/c1-4-8-16-14-10-17-13(9-18-14)15(20)19-11(3)6-7-12(19)5-2/h9-12H,4-8H2,1-3H3,(H,16,18)
InChIKeyBXOOSKQJDNCRKU-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.70
Rot. Bonds5

About (2-ethyl-5-methylpyrrolidin-1-yl)-[5-(propylamino)pyrazin-2-yl]methanone

(2-ethyl-5-methylpyrrolidin-1-yl)-[5-(propylamino)pyrazin-2-yl]methanone (PubChem CID 107376681) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is (2-ethyl-5-methylpyrrolidin-1-yl)-[5-(propylamino)pyrazin-2-yl]methanone.

Molecular Properties

Compound Name(2-ethyl-5-methylpyrrolidin-1-yl)-[5-(propylamino)pyrazin-2-yl]methanone
PubChem CID107376681
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name(2-ethyl-5-methylpyrrolidin-1-yl)-[5-(propylamino)pyrazin-2-yl]methanone
SMILESCCCNc1cnc(C(=O)N2C(C)CCC2CC)cn1
InChIInChI=1S/C15H24N4O/c1-4-8-16-14-10-17-13(9-18-14)15(20)19-11(3)6-7-12(19)5-2/h9-12H,4-8H2,1-3H3,(H,16,18)
InChIKeyBXOOSKQJDNCRKU-UHFFFAOYSA-N
XLogP2.70
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3,4-dihydroxypyrrolidin-1-yl)-[5-(propylamino)pyrazin-2-yl]methanone
CID 107377330
(4-hydroxy-3-methylpiperidin-1-yl)-[5-(propylamino)pyrazin-2-yl]methanone
CID 107377097
[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-[5-(propylamino)pyrazin-2-yl]methanone
CID 107375498
(4-ethylpiperazin-1-yl)-[5-(propylamino)pyrazin-2-yl]methanone
CID 109270974
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-[5-(propylamino)pyrazin-2-yl]methanone
CID 107376688
N-cycloheptyl-5-(propylamino)pyrazine-2-carboxamide
CID 109271032
1,3-dihydroisoindol-2-yl-[5-(propylamino)pyrazin-2-yl]methanone
CID 107375381
N-[(4-methylcyclohexyl)methyl]-5-(propylamino)pyrazine-2-carboxamide
CID 107375618
[3-(hydroxymethyl)morpholin-4-yl]-[5-(propylamino)pyrazin-2-yl]methanone
CID 107377022
(2,2-dimethylthiomorpholin-4-yl)-[5-(propylamino)pyrazin-2-yl]methanone
CID 107376996
N-(cyclopropylmethyl)-N-propyl-5-(propylamino)pyrazine-2-carboxamide
CID 107374839
N-(2,4-dimethylcyclohexyl)-5-(propylamino)pyrazine-2-carboxamide
CID 107375780

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-5-methylpyrrolidin-1-yl)-[5-(propylamino)pyrazin-2-yl]methanone?
The IUPAC name of (2-ethyl-5-methylpyrrolidin-1-yl)-[5-(propylamino)pyrazin-2-yl]methanone (CID 107376681) is (2-ethyl-5-methylpyrrolidin-1-yl)-[5-(propylamino)pyrazin-2-yl]methanone.
What is the SMILES notation for (2-ethyl-5-methylpyrrolidin-1-yl)-[5-(propylamino)pyrazin-2-yl]methanone?
The canonical SMILES for (2-ethyl-5-methylpyrrolidin-1-yl)-[5-(propylamino)pyrazin-2-yl]methanone is CCCNc1cnc(C(=O)N2C(C)CCC2CC)cn1.
What is the InChIKey of (2-ethyl-5-methylpyrrolidin-1-yl)-[5-(propylamino)pyrazin-2-yl]methanone?
The InChIKey is BXOOSKQJDNCRKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-4-8-16-14-10-17-13(9-18-14)15(20)19-11(3)6-7-12(19)5-2/h9-12H,4-8H2,1-3H3,(H,16,18).
What are the key properties of (2-ethyl-5-methylpyrrolidin-1-yl)-[5-(propylamino)pyrazin-2-yl]methanone?
(2-ethyl-5-methylpyrrolidin-1-yl)-[5-(propylamino)pyrazin-2-yl]methanone has a molecular weight of 276.38 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-5-methylpyrrolidin-1-yl)-[5-(propylamino)pyrazin-2-yl]methanone is sourced from PubChem (CID 107376681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).