5-methyl-4-(4-methylpiperazin-1-yl)-N-(quinoxalin-6-ylmethyl)pyridin-3-amine

C20H24N6 — CID 176561696

IUPAC5-methyl-4-(4-methylpiperazin-1-yl)-N-(quinoxalin-6-ylmethyl)pyridin-3-amine
SMILESCc1cncc(NCc2ccc3nccnc3c2)c1N1CCN(C)CC1
InChIInChI=1S/C20H24N6/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/h3-6,11-12,14,24H,7-10,13H2,1-2H3
InChIKeyCXGRHCLQGIMWNS-UHFFFAOYSA-N
MW348.45 g/mol
LogP2.70
Rot. Bonds4

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

5-methyl-4-(4-methylpiperazin-1-yl)-N-(quinoxalin-6-ylmethyl)pyridin-3-amine (PubChem CID 176561696) has the molecular formula C20H24N6 and a molecular weight of 348.45 g/mol. Its IUPAC name is 5-methyl-4-(4-methylpiperazin-1-yl)-N-(quinoxalin-6-ylmethyl)pyridin-3-amine.

Molecular Properties

Compound Name5-methyl-4-(4-methylpiperazin-1-yl)-N-(quinoxalin-6-ylmethyl)pyridin-3-amine
PubChem CID176561696
Molecular FormulaC20H24N6
Molecular Weight348.45 g/mol
Exact Mass348.21
IUPAC Name5-methyl-4-(4-methylpiperazin-1-yl)-N-(quinoxalin-6-ylmethyl)pyridin-3-amine
SMILESCc1cncc(NCc2ccc3nccnc3c2)c1N1CCN(C)CC1
InChIInChI=1S/C20H24N6/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/h3-6,11-12,14,24H,7-10,13H2,1-2H3
InChIKeyCXGRHCLQGIMWNS-UHFFFAOYSA-N
XLogP2.70
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-N-(quinoxalin-6-ylmethyl)pyridin-3-amine
CID 176561492
5-fluoro-4-(3-methylpyrrolidin-1-yl)-N-(quinoxalin-6-ylmethyl)pyridin-3-amine
CID 176561558
3-methyl-4-(4-methylpiperazin-1-yl)-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine
CID 176561484
4-[3-(methylamino)pyrrolidin-1-yl]-N-(quinoxalin-6-ylmethyl)pyridin-3-amine
CID 176561546
4-piperazin-1-yl-N-(quinoxalin-6-ylmethyl)quinolin-3-amine
CID 168937210
4-(3-methylpyrrolidin-1-yl)-N-(quinoxalin-6-ylmethyl)pyridin-3-amine
CID 176561606
6-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]quinolin-4-amine
CID 133468020
8-methyl-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-1,5-naphthyridin-4-amine
CID 166374914
4-(4-benzylpiperidin-1-yl)-N-(quinoxalin-6-ylmethyl)pyridin-3-amine
CID 177366099
4-(3,6-diazabicyclo[3.1.1]heptan-6-yl)-N-(quinoxalin-6-ylmethyl)pyridin-3-amine
CID 168937135
6-fluoro-4-methyl-7-pyrrolidin-1-yl-N-(quinoxalin-6-ylmethyl)cyclohepta-1,3,6-trien-1-amine
CID 176561499
N-(quinoxalin-6-ylmethyl)ethanamine
CID 62848680

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(4-methylpiperazin-1-yl)-N-(quinoxalin-6-ylmethyl)pyridin-3-amine?
The IUPAC name of 5-methyl-4-(4-methylpiperazin-1-yl)-N-(quinoxalin-6-ylmethyl)pyridin-3-amine (CID 176561696) is 5-methyl-4-(4-methylpiperazin-1-yl)-N-(quinoxalin-6-ylmethyl)pyridin-3-amine.
What is the SMILES notation for 5-methyl-4-(4-methylpiperazin-1-yl)-N-(quinoxalin-6-ylmethyl)pyridin-3-amine?
The canonical SMILES for 5-methyl-4-(4-methylpiperazin-1-yl)-N-(quinoxalin-6-ylmethyl)pyridin-3-amine is Cc1cncc(NCc2ccc3nccnc3c2)c1N1CCN(C)CC1.
What is the InChIKey of 5-methyl-4-(4-methylpiperazin-1-yl)-N-(quinoxalin-6-ylmethyl)pyridin-3-amine?
The InChIKey is CXGRHCLQGIMWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6/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/h3-6,11-12,14,24H,7-10,13H2,1-2H3.
What are the key properties of 5-methyl-4-(4-methylpiperazin-1-yl)-N-(quinoxalin-6-ylmethyl)pyridin-3-amine?
5-methyl-4-(4-methylpiperazin-1-yl)-N-(quinoxalin-6-ylmethyl)pyridin-3-amine has a molecular weight of 348.45 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(4-methylpiperazin-1-yl)-N-(quinoxalin-6-ylmethyl)pyridin-3-amine is sourced from PubChem (CID 176561696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).