6-[6-(diethylamino)pyrazin-2-yl]-N-methylisoquinolin-3-amine;1-(4-ethenyl-2-pyridinyl)-4-methylpiperazine

C30H38N8 — CID 142575352

IUPAC6-[6-(diethylamino)pyrazin-2-yl]-N-methylisoquinolin-3-amine;1-(4-ethenyl-2-pyridinyl)-4-methylpiperazine
SMILESC=Cc1ccnc(N2CCN(C)CC2)c1.CCN(CC)c1cncc(-c2ccc3cnc(NC)cc3c2)n1
InChIInChI=1S/C18H21N5.C12H17N3/c1-4-23(5-2)18-12-20-11-16(22-18)13-6-7-14-10-21-17(19-3)9-15(14)8-13;1-3-11-4-5-13-12(10-11)15-8-6-14(2)7-9-15/h6-12H,4-5H2,1-3H3,(H,19,21);3-5,10H,1,6-9H2,2H3
InChIKeySEYBTGUEQQSJPB-UHFFFAOYSA-N
MW510.69 g/mol
LogP5.06
Rot. Bonds7

About 6-[6-(diethylamino)pyrazin-2-yl]-N-methylisoquinolin-3-amine;1-(4-ethenyl-2-pyridinyl)-4-methylpiperazine

6-[6-(diethylamino)pyrazin-2-yl]-N-methylisoquinolin-3-amine;1-(4-ethenyl-2-pyridinyl)-4-methylpiperazine (PubChem CID 142575352) has the molecular formula C30H38N8 and a molecular weight of 510.69 g/mol. Its IUPAC name is 6-[6-(diethylamino)pyrazin-2-yl]-N-methylisoquinolin-3-amine;1-(4-ethenyl-2-pyridinyl)-4-methylpiperazine.

Molecular Properties

Compound Name6-[6-(diethylamino)pyrazin-2-yl]-N-methylisoquinolin-3-amine;1-(4-ethenyl-2-pyridinyl)-4-methylpiperazine
PubChem CID142575352
Molecular FormulaC30H38N8
Molecular Weight510.69 g/mol
Exact Mass510.32
IUPAC Name6-[6-(diethylamino)pyrazin-2-yl]-N-methylisoquinolin-3-amine;1-(4-ethenyl-2-pyridinyl)-4-methylpiperazine
SMILESC=Cc1ccnc(N2CCN(C)CC2)c1.CCN(CC)c1cncc(-c2ccc3cnc(NC)cc3c2)n1
InChIInChI=1S/C18H21N5.C12H17N3/c1-4-23(5-2)18-12-20-11-16(22-18)13-6-7-14-10-21-17(19-3)9-15(14)8-13;1-3-11-4-5-13-12(10-11)15-8-6-14(2)7-9-15/h6-12H,4-5H2,1-3H3,(H,19,21);3-5,10H,1,6-9H2,2H3
InChIKeySEYBTGUEQQSJPB-UHFFFAOYSA-N
XLogP5.06
TPSA73.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.69
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-[6-(diethylamino)pyrazin-2-yl]-N-methylisoquinolin-3-amine;1-(4-ethenyl-2-pyridinyl)-4-methylpiperazine with MolForge

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Launch Full Analysis

Related Compounds

1-(4-ethenyl-2-pyridinyl)-4-methylpiperazine;N-methyl-6-(1-methylpyrazol-4-yl)isoquinolin-3-amine
CID 145392446
1-(4-ethenyl-2-pyridinyl)-N,N-dimethylpiperidin-4-amine;N-methyl-6-(3-methylimidazol-4-yl)isoquinolin-3-amine
CID 145392535
N-methyl-6-(1-methylpyrazol-4-yl)isoquinolin-3-amine;1-methyl-4-(4-prop-2-enyl-2-pyridinyl)piperazine
CID 145392531
1-(4-ethenyl-2-pyridinyl)azetidin-3-amine;N-methyl-6-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]isoquinolin-3-amine
CID 145392558
1-cyclopropyl-4-(4-ethenyl-2-pyridinyl)piperazine;5-[3-(methylamino)isoquinolin-6-yl]-1,3-thiazol-2-amine
CID 145392375
N-[1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethenyl]-6-[6-(propan-2-ylamino)pyrazin-2-yl]isoquinolin-3-amine
CID 142575414
2-(4-methylpiperazin-1-yl)pyridine-4-carbaldehyde;N-methyl-2-(5H-pyrrolo[2,3-b]pyrazin-3-yl)-1,6-naphthyridin-7-amine
CID 142584651
N-[6-(5-amino-3-pyridinyl)isoquinolin-3-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 138586311
2-[6-[6-(dimethylamino)pyrazin-2-yl]-2,7-naphthyridin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone
CID 158985268
6-[(3E)-4-(dimethylamino)penta-1,3-dien-3-yl]-N-[1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethenyl]isoquinolin-3-amine
CID 166786865
6-[(1E)-1-(dimethylamino)buta-1,3-dien-2-yl]-N-[3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]propyl]isoquinolin-3-amine
CID 145392354
4-ethenyl-N-methylpyridin-2-amine
CID 74890315

Frequently Asked Questions

What is the IUPAC name of 6-[6-(diethylamino)pyrazin-2-yl]-N-methylisoquinolin-3-amine;1-(4-ethenyl-2-pyridinyl)-4-methylpiperazine?
The IUPAC name of 6-[6-(diethylamino)pyrazin-2-yl]-N-methylisoquinolin-3-amine;1-(4-ethenyl-2-pyridinyl)-4-methylpiperazine (CID 142575352) is 6-[6-(diethylamino)pyrazin-2-yl]-N-methylisoquinolin-3-amine;1-(4-ethenyl-2-pyridinyl)-4-methylpiperazine.
What is the SMILES notation for 6-[6-(diethylamino)pyrazin-2-yl]-N-methylisoquinolin-3-amine;1-(4-ethenyl-2-pyridinyl)-4-methylpiperazine?
The canonical SMILES for 6-[6-(diethylamino)pyrazin-2-yl]-N-methylisoquinolin-3-amine;1-(4-ethenyl-2-pyridinyl)-4-methylpiperazine is C=Cc1ccnc(N2CCN(C)CC2)c1.CCN(CC)c1cncc(-c2ccc3cnc(NC)cc3c2)n1.
What is the InChIKey of 6-[6-(diethylamino)pyrazin-2-yl]-N-methylisoquinolin-3-amine;1-(4-ethenyl-2-pyridinyl)-4-methylpiperazine?
The InChIKey is SEYBTGUEQQSJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5.C12H17N3/c1-4-23(5-2)18-12-20-11-16(22-18)13-6-7-14-10-21-17(19-3)9-15(14)8-13;1-3-11-4-5-13-12(10-11)15-8-6-14(2)7-9-15/h6-12H,4-5H2,1-3H3,(H,19,21);3-5,10H,1,6-9H2,2H3.
What are the key properties of 6-[6-(diethylamino)pyrazin-2-yl]-N-methylisoquinolin-3-amine;1-(4-ethenyl-2-pyridinyl)-4-methylpiperazine?
6-[6-(diethylamino)pyrazin-2-yl]-N-methylisoquinolin-3-amine;1-(4-ethenyl-2-pyridinyl)-4-methylpiperazine has a molecular weight of 510.69 g/mol, XLogP of 5.06, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(diethylamino)pyrazin-2-yl]-N-methylisoquinolin-3-amine;1-(4-ethenyl-2-pyridinyl)-4-methylpiperazine is sourced from PubChem (CID 142575352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).