1,3-dihydroisoindol-2-yl-[5-(propylamino)pyrazin-2-yl]methanone

C16H18N4O — CID 107375381

IUPAC1,3-dihydroisoindol-2-yl-[5-(propylamino)pyrazin-2-yl]methanone
SMILESCCCNc1cnc(C(=O)N2Cc3ccccc3C2)cn1
InChIInChI=1S/C16H18N4O/c1-2-7-17-15-9-18-14(8-19-15)16(21)20-10-12-5-3-4-6-13(12)11-20/h3-6,8-9H,2,7,10-11H2,1H3,(H,17,19)
InChIKeyOJJRGFLFSCWISL-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.45
Rot. Bonds4

About 1,3-dihydroisoindol-2-yl-[5-(propylamino)pyrazin-2-yl]methanone

1,3-dihydroisoindol-2-yl-[5-(propylamino)pyrazin-2-yl]methanone (PubChem CID 107375381) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 1,3-dihydroisoindol-2-yl-[5-(propylamino)pyrazin-2-yl]methanone.

Molecular Properties

Compound Name1,3-dihydroisoindol-2-yl-[5-(propylamino)pyrazin-2-yl]methanone
PubChem CID107375381
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name1,3-dihydroisoindol-2-yl-[5-(propylamino)pyrazin-2-yl]methanone
SMILESCCCNc1cnc(C(=O)N2Cc3ccccc3C2)cn1
InChIInChI=1S/C16H18N4O/c1-2-7-17-15-9-18-14(8-19-15)16(21)20-10-12-5-3-4-6-13(12)11-20/h3-6,8-9H,2,7,10-11H2,1H3,(H,17,19)
InChIKeyOJJRGFLFSCWISL-UHFFFAOYSA-N
XLogP2.45
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.45
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-ethylpiperazin-1-yl)-[5-(propylamino)pyrazin-2-yl]methanone
CID 109270974
3,4-dihydro-1H-isoquinolin-2-yl-[5-(2-morpholin-4-ylethylamino)pyrazin-2-yl]methanone
CID 109277620
(2,2-dimethylthiomorpholin-4-yl)-[5-(propylamino)pyrazin-2-yl]methanone
CID 107376996
3,4-dihydro-1H-isoquinolin-2-yl-[5-[(2-fluorophenyl)methylamino]pyrazin-2-yl]methanone
CID 109281425
[5-(butylamino)pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 109272535
(4-hydroxy-3-methylpiperidin-1-yl)-[5-(propylamino)pyrazin-2-yl]methanone
CID 107377097
N-methyl-N-phenyl-5-(propylamino)pyrazine-2-carboxamide
CID 109271049
(5-anilinopyrazin-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 109284050
3,4-dihydro-1H-isoquinolin-2-yl-[5-[2-(1H-indol-3-yl)ethylamino]pyrazin-2-yl]methanone
CID 109284033
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-[5-(propylamino)pyrazin-2-yl]methanone
CID 107376688
3,4-dihydro-1H-isoquinolin-2-yl-[5-(3,5-dimethylanilino)pyrazin-2-yl]methanone
CID 109284060

Frequently Asked Questions

What is the IUPAC name of 1,3-dihydroisoindol-2-yl-[5-(propylamino)pyrazin-2-yl]methanone?
The IUPAC name of 1,3-dihydroisoindol-2-yl-[5-(propylamino)pyrazin-2-yl]methanone (CID 107375381) is 1,3-dihydroisoindol-2-yl-[5-(propylamino)pyrazin-2-yl]methanone.
What is the SMILES notation for 1,3-dihydroisoindol-2-yl-[5-(propylamino)pyrazin-2-yl]methanone?
The canonical SMILES for 1,3-dihydroisoindol-2-yl-[5-(propylamino)pyrazin-2-yl]methanone is CCCNc1cnc(C(=O)N2Cc3ccccc3C2)cn1.
What is the InChIKey of 1,3-dihydroisoindol-2-yl-[5-(propylamino)pyrazin-2-yl]methanone?
The InChIKey is OJJRGFLFSCWISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-2-7-17-15-9-18-14(8-19-15)16(21)20-10-12-5-3-4-6-13(12)11-20/h3-6,8-9H,2,7,10-11H2,1H3,(H,17,19).
What are the key properties of 1,3-dihydroisoindol-2-yl-[5-(propylamino)pyrazin-2-yl]methanone?
1,3-dihydroisoindol-2-yl-[5-(propylamino)pyrazin-2-yl]methanone has a molecular weight of 282.35 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydroisoindol-2-yl-[5-(propylamino)pyrazin-2-yl]methanone is sourced from PubChem (CID 107375381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).