ethane;4-piperazin-1-yl-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine

C20H28N6 — CID 168936937

IUPACethane;4-piperazin-1-yl-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine
SMILESC1=C(NCc2ccc3nccnc3c2)C(N2CCNCC2)=CCN1.CC
InChIInChI=1S/C18H22N6.C2H6/c1-2-15-16(22-6-5-21-15)11-14(1)12-23-17-13-20-4-3-18(17)24-9-7-19-8-10-24;1-2/h1-3,5-6,11,13,19-20,23H,4,7-10,12H2;1-2H3
InChIKeyIGVVGIJANSLVRH-UHFFFAOYSA-N
MW352.49 g/mol
LogP1.98
Rot. Bonds4

About ethane;4-piperazin-1-yl-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine

ethane;4-piperazin-1-yl-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine (PubChem CID 168936937) has the molecular formula C20H28N6 and a molecular weight of 352.49 g/mol. Its IUPAC name is ethane;4-piperazin-1-yl-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine.

Molecular Properties

Compound Nameethane;4-piperazin-1-yl-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine
PubChem CID168936937
Molecular FormulaC20H28N6
Molecular Weight352.49 g/mol
Exact Mass352.24
IUPAC Nameethane;4-piperazin-1-yl-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine
SMILESC1=C(NCc2ccc3nccnc3c2)C(N2CCNCC2)=CCN1.CC
InChIInChI=1S/C18H22N6.C2H6/c1-2-15-16(22-6-5-21-15)11-14(1)12-23-17-13-20-4-3-18(17)24-9-7-19-8-10-24;1-2/h1-3,5-6,11,13,19-20,23H,4,7-10,12H2;1-2H3
InChIKeyIGVVGIJANSLVRH-UHFFFAOYSA-N
XLogP1.98
TPSA65.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.49
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(7-chloroquinoxalin-6-yl)methyl]-4-piperazin-1-yl-1,2-dihydropyridin-5-amine;ethane
CID 168936940
4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine
CID 168936819
2-phosphanyl-4-piperazin-1-yl-N-(quinoxalin-6-ylmethyl)pyridin-3-amine
CID 168937037
4-(3-methylpiperazin-1-yl)-N-[(8-propylquinoxalin-6-yl)methyl]-1,2-dihydropyridin-5-amine
CID 168937056
4-(1,4-diazepan-1-yl)-N-(quinoxalin-6-ylmethyl)pyridin-2-amine
CID 177366069
3-methyl-4-(4-methylpiperazin-1-yl)-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine
CID 176561484
2-methyl-3-[(Z)-3-methylbut-1-enyl]-4-piperazin-1-yl-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine
CID 168937199
3-chloro-4-(4,7-diazaspiro[2.5]octan-7-yl)-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine
CID 176561428
4-piperazin-1-yl-N-(quinoxalin-6-ylmethyl)quinolin-3-amine
CID 168937210
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
N-[(7-chloroquinoxalin-6-yl)methyl]-4-(4,7-diazaspiro[2.5]octan-4-yl)-1,2-dihydropyridin-5-amine
CID 176561509

Frequently Asked Questions

What is the IUPAC name of ethane;4-piperazin-1-yl-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine?
The IUPAC name of ethane;4-piperazin-1-yl-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine (CID 168936937) is ethane;4-piperazin-1-yl-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine.
What is the SMILES notation for ethane;4-piperazin-1-yl-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine?
The canonical SMILES for ethane;4-piperazin-1-yl-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine is C1=C(NCc2ccc3nccnc3c2)C(N2CCNCC2)=CCN1.CC.
What is the InChIKey of ethane;4-piperazin-1-yl-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine?
The InChIKey is IGVVGIJANSLVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6.C2H6/c1-2-15-16(22-6-5-21-15)11-14(1)12-23-17-13-20-4-3-18(17)24-9-7-19-8-10-24;1-2/h1-3,5-6,11,13,19-20,23H,4,7-10,12H2;1-2H3.
What are the key properties of ethane;4-piperazin-1-yl-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine?
ethane;4-piperazin-1-yl-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine has a molecular weight of 352.49 g/mol, XLogP of 1.98, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-piperazin-1-yl-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine is sourced from PubChem (CID 168936937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).