3-(2,3-dichlorophenyl)-6-[4-(ethylamino)-4-methylpiperidin-1-yl]pyrazin-2-amine

C18H23Cl2N5 — CID 167296773

IUPAC3-(2,3-dichlorophenyl)-6-[4-(ethylamino)-4-methylpiperidin-1-yl]pyrazin-2-amine
SMILESCCNC1(C)CCN(c2cnc(-c3cccc(Cl)c3Cl)c(N)n2)CC1
InChIInChI=1S/C18H23Cl2N5/c1-3-23-18(2)7-9-25(10-8-18)14-11-22-16(17(21)24-14)12-5-4-6-13(19)15(12)20/h4-6,11,23H,3,7-10H2,1-2H3,(H2,21,24)
InChIKeyNJCHOAJRNNWJJD-UHFFFAOYSA-N
MW380.32 g/mol
LogP4.00
Rot. Bonds4

About 3-(2,3-dichlorophenyl)-6-[4-(ethylamino)-4-methylpiperidin-1-yl]pyrazin-2-amine

3-(2,3-dichlorophenyl)-6-[4-(ethylamino)-4-methylpiperidin-1-yl]pyrazin-2-amine (PubChem CID 167296773) has the molecular formula C18H23Cl2N5 and a molecular weight of 380.32 g/mol. Its IUPAC name is 3-(2,3-dichlorophenyl)-6-[4-(ethylamino)-4-methylpiperidin-1-yl]pyrazin-2-amine.

Molecular Properties

Compound Name3-(2,3-dichlorophenyl)-6-[4-(ethylamino)-4-methylpiperidin-1-yl]pyrazin-2-amine
PubChem CID167296773
Molecular FormulaC18H23Cl2N5
Molecular Weight380.32 g/mol
Exact Mass379.13
IUPAC Name3-(2,3-dichlorophenyl)-6-[4-(ethylamino)-4-methylpiperidin-1-yl]pyrazin-2-amine
SMILESCCNC1(C)CCN(c2cnc(-c3cccc(Cl)c3Cl)c(N)n2)CC1
InChIInChI=1S/C18H23Cl2N5/c1-3-23-18(2)7-9-25(10-8-18)14-11-22-16(17(21)24-14)12-5-4-6-13(19)15(12)20/h4-6,11,23H,3,7-10H2,1-2H3,(H2,21,24)
InChIKeyNJCHOAJRNNWJJD-UHFFFAOYSA-N
XLogP4.00
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.32
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dichlorophenyl)-6-[4-(ethylamino)-4-methylpiperidin-1-yl]pyrazin-2-amine?
The IUPAC name of 3-(2,3-dichlorophenyl)-6-[4-(ethylamino)-4-methylpiperidin-1-yl]pyrazin-2-amine (CID 167296773) is 3-(2,3-dichlorophenyl)-6-[4-(ethylamino)-4-methylpiperidin-1-yl]pyrazin-2-amine.
What is the SMILES notation for 3-(2,3-dichlorophenyl)-6-[4-(ethylamino)-4-methylpiperidin-1-yl]pyrazin-2-amine?
The canonical SMILES for 3-(2,3-dichlorophenyl)-6-[4-(ethylamino)-4-methylpiperidin-1-yl]pyrazin-2-amine is CCNC1(C)CCN(c2cnc(-c3cccc(Cl)c3Cl)c(N)n2)CC1.
What is the InChIKey of 3-(2,3-dichlorophenyl)-6-[4-(ethylamino)-4-methylpiperidin-1-yl]pyrazin-2-amine?
The InChIKey is NJCHOAJRNNWJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23Cl2N5/c1-3-23-18(2)7-9-25(10-8-18)14-11-22-16(17(21)24-14)12-5-4-6-13(19)15(12)20/h4-6,11,23H,3,7-10H2,1-2H3,(H2,21,24).
What are the key properties of 3-(2,3-dichlorophenyl)-6-[4-(ethylamino)-4-methylpiperidin-1-yl]pyrazin-2-amine?
3-(2,3-dichlorophenyl)-6-[4-(ethylamino)-4-methylpiperidin-1-yl]pyrazin-2-amine has a molecular weight of 380.32 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dichlorophenyl)-6-[4-(ethylamino)-4-methylpiperidin-1-yl]pyrazin-2-amine is sourced from PubChem (CID 167296773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).