3-methyl-4-(4-methylpiperazin-1-yl)-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine

C20H26N6 — CID 176561484

IUPAC3-methyl-4-(4-methylpiperazin-1-yl)-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine
SMILESCC1=C(N2CCN(C)CC2)C(NCc2ccc3nccnc3c2)=CNC1
InChIInChI=1S/C20H26N6/c1-15-12-21-14-19(20(15)26-9-7-25(2)8-10-26)24-13-16-3-4-17-18(11-16)23-6-5-22-17/h3-6,11,14,21,24H,7-10,12-13H2,1-2H3
InChIKeyIZGAODPDYCSXHS-UHFFFAOYSA-N
MW350.47 g/mol
LogP1.69
Rot. Bonds4

About 3-methyl-4-(4-methylpiperazin-1-yl)-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine

3-methyl-4-(4-methylpiperazin-1-yl)-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine (PubChem CID 176561484) has the molecular formula C20H26N6 and a molecular weight of 350.47 g/mol. Its IUPAC name is 3-methyl-4-(4-methylpiperazin-1-yl)-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine.

Molecular Properties

Compound Name3-methyl-4-(4-methylpiperazin-1-yl)-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine
PubChem CID176561484
Molecular FormulaC20H26N6
Molecular Weight350.47 g/mol
Exact Mass350.22
IUPAC Name3-methyl-4-(4-methylpiperazin-1-yl)-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine
SMILESCC1=C(N2CCN(C)CC2)C(NCc2ccc3nccnc3c2)=CNC1
InChIInChI=1S/C20H26N6/c1-15-12-21-14-19(20(15)26-9-7-25(2)8-10-26)24-13-16-3-4-17-18(11-16)23-6-5-22-17/h3-6,11,14,21,24H,7-10,12-13H2,1-2H3
InChIKeyIZGAODPDYCSXHS-UHFFFAOYSA-N
XLogP1.69
TPSA56.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(8-chloroquinoxalin-6-yl)methyl]-3-methyl-4-piperazin-1-yl-1,2-dihydropyridin-5-amine
CID 168937373
5-methyl-4-(4-methylpiperazin-1-yl)-N-(quinoxalin-6-ylmethyl)pyridin-3-amine
CID 176561696
3-chloro-4-(4,7-diazaspiro[2.5]octan-7-yl)-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine
CID 176561428
3-fluoro-5-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridine-4,5-diamine
CID 176561576
3-chloro-4-methoxy-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine
CID 168937063
ethane;4-piperazin-1-yl-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine
CID 168936937
propane;5-(quinoxalin-6-ylmethylamino)-3-(trifluoromethyl)-1,2-dihydropyridin-4-ol
CID 168936928
6-fluoro-4-methyl-7-pyrrolidin-1-yl-N-(quinoxalin-6-ylmethyl)cyclohepta-1,3,6-trien-1-amine
CID 176561499
2-methyl-3-[(Z)-3-methylbut-1-enyl]-4-piperazin-1-yl-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine
CID 168937199
4-(azetidin-3-yloxy)-3-chloro-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine
CID 176691496
6-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]quinolin-4-amine
CID 133468020
4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine
CID 168936819

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(4-methylpiperazin-1-yl)-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine?
The IUPAC name of 3-methyl-4-(4-methylpiperazin-1-yl)-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine (CID 176561484) is 3-methyl-4-(4-methylpiperazin-1-yl)-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine.
What is the SMILES notation for 3-methyl-4-(4-methylpiperazin-1-yl)-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine?
The canonical SMILES for 3-methyl-4-(4-methylpiperazin-1-yl)-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine is CC1=C(N2CCN(C)CC2)C(NCc2ccc3nccnc3c2)=CNC1.
What is the InChIKey of 3-methyl-4-(4-methylpiperazin-1-yl)-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine?
The InChIKey is IZGAODPDYCSXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6/c1-15-12-21-14-19(20(15)26-9-7-25(2)8-10-26)24-13-16-3-4-17-18(11-16)23-6-5-22-17/h3-6,11,14,21,24H,7-10,12-13H2,1-2H3.
What are the key properties of 3-methyl-4-(4-methylpiperazin-1-yl)-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine?
3-methyl-4-(4-methylpiperazin-1-yl)-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine has a molecular weight of 350.47 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(4-methylpiperazin-1-yl)-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine is sourced from PubChem (CID 176561484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).