2,3,5-trimethyl-6-[2-(6-pyrrolidin-1-yl-2-pyridinyl)ethyl]pyrazine

C18H24N4 — CID 72706473

IUPAC2,3,5-trimethyl-6-[2-(6-pyrrolidin-1-yl-2-pyridinyl)ethyl]pyrazine
SMILESCc1nc(C)c(CCc2cccc(N3CCCC3)n2)nc1C
InChIInChI=1S/C18H24N4/c1-13-14(2)20-17(15(3)19-13)10-9-16-7-6-8-18(21-16)22-11-4-5-12-22/h6-8H,4-5,9-12H2,1-3H3
InChIKeyGPNNVVHDPANIEG-UHFFFAOYSA-N
MW296.42 g/mol
LogP3.18
Rot. Bonds4

About 2,3,5-trimethyl-6-[2-(6-pyrrolidin-1-yl-2-pyridinyl)ethyl]pyrazine

2,3,5-trimethyl-6-[2-(6-pyrrolidin-1-yl-2-pyridinyl)ethyl]pyrazine (PubChem CID 72706473) has the molecular formula C18H24N4 and a molecular weight of 296.42 g/mol. Its IUPAC name is 2,3,5-trimethyl-6-[2-(6-pyrrolidin-1-yl-2-pyridinyl)ethyl]pyrazine.

Molecular Properties

Compound Name2,3,5-trimethyl-6-[2-(6-pyrrolidin-1-yl-2-pyridinyl)ethyl]pyrazine
PubChem CID72706473
Molecular FormulaC18H24N4
Molecular Weight296.42 g/mol
Exact Mass296.20
IUPAC Name2,3,5-trimethyl-6-[2-(6-pyrrolidin-1-yl-2-pyridinyl)ethyl]pyrazine
SMILESCc1nc(C)c(CCc2cccc(N3CCCC3)n2)nc1C
InChIInChI=1S/C18H24N4/c1-13-14(2)20-17(15(3)19-13)10-9-16-7-6-8-18(21-16)22-11-4-5-12-22/h6-8H,4-5,9-12H2,1-3H3
InChIKeyGPNNVVHDPANIEG-UHFFFAOYSA-N
XLogP3.18
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3,5-trimethyl-6-[2-(6-pyrrolidin-1-yl-2-pyridinyl)ethyl]pyrazine?
The IUPAC name of 2,3,5-trimethyl-6-[2-(6-pyrrolidin-1-yl-2-pyridinyl)ethyl]pyrazine (CID 72706473) is 2,3,5-trimethyl-6-[2-(6-pyrrolidin-1-yl-2-pyridinyl)ethyl]pyrazine.
What is the SMILES notation for 2,3,5-trimethyl-6-[2-(6-pyrrolidin-1-yl-2-pyridinyl)ethyl]pyrazine?
The canonical SMILES for 2,3,5-trimethyl-6-[2-(6-pyrrolidin-1-yl-2-pyridinyl)ethyl]pyrazine is Cc1nc(C)c(CCc2cccc(N3CCCC3)n2)nc1C.
What is the InChIKey of 2,3,5-trimethyl-6-[2-(6-pyrrolidin-1-yl-2-pyridinyl)ethyl]pyrazine?
The InChIKey is GPNNVVHDPANIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4/c1-13-14(2)20-17(15(3)19-13)10-9-16-7-6-8-18(21-16)22-11-4-5-12-22/h6-8H,4-5,9-12H2,1-3H3.
What are the key properties of 2,3,5-trimethyl-6-[2-(6-pyrrolidin-1-yl-2-pyridinyl)ethyl]pyrazine?
2,3,5-trimethyl-6-[2-(6-pyrrolidin-1-yl-2-pyridinyl)ethyl]pyrazine has a molecular weight of 296.42 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trimethyl-6-[2-(6-pyrrolidin-1-yl-2-pyridinyl)ethyl]pyrazine is sourced from PubChem (CID 72706473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).