2-[(2-methyl-3-pyridinyl)oxy]-3-(1-propan-2-ylpiperidin-3-yl)pyrazine

C18H24N4O — CID 110269984

IUPAC2-[(2-methyl-3-pyridinyl)oxy]-3-(1-propan-2-ylpiperidin-3-yl)pyrazine
SMILESCc1ncccc1Oc1nccnc1C1CCCN(C(C)C)C1
InChIInChI=1S/C18H24N4O/c1-13(2)22-11-5-6-15(12-22)17-18(21-10-9-20-17)23-16-7-4-8-19-14(16)3/h4,7-10,13,15H,5-6,11-12H2,1-3H3
InChIKeyZSOUVQTVDJWYPQ-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.56
Rot. Bonds4

About 2-[(2-methyl-3-pyridinyl)oxy]-3-(1-propan-2-ylpiperidin-3-yl)pyrazine

2-[(2-methyl-3-pyridinyl)oxy]-3-(1-propan-2-ylpiperidin-3-yl)pyrazine (PubChem CID 110269984) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 2-[(2-methyl-3-pyridinyl)oxy]-3-(1-propan-2-ylpiperidin-3-yl)pyrazine.

Molecular Properties

Compound Name2-[(2-methyl-3-pyridinyl)oxy]-3-(1-propan-2-ylpiperidin-3-yl)pyrazine
PubChem CID110269984
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name2-[(2-methyl-3-pyridinyl)oxy]-3-(1-propan-2-ylpiperidin-3-yl)pyrazine
SMILESCc1ncccc1Oc1nccnc1C1CCCN(C(C)C)C1
InChIInChI=1S/C18H24N4O/c1-13(2)22-11-5-6-15(12-22)17-18(21-10-9-20-17)23-16-7-4-8-19-14(16)3/h4,7-10,13,15H,5-6,11-12H2,1-3H3
InChIKeyZSOUVQTVDJWYPQ-UHFFFAOYSA-N
XLogP3.56
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-3-pyridinyl)oxy]-3-(1-propan-2-ylpiperidin-3-yl)pyrazine?
The IUPAC name of 2-[(2-methyl-3-pyridinyl)oxy]-3-(1-propan-2-ylpiperidin-3-yl)pyrazine (CID 110269984) is 2-[(2-methyl-3-pyridinyl)oxy]-3-(1-propan-2-ylpiperidin-3-yl)pyrazine.
What is the SMILES notation for 2-[(2-methyl-3-pyridinyl)oxy]-3-(1-propan-2-ylpiperidin-3-yl)pyrazine?
The canonical SMILES for 2-[(2-methyl-3-pyridinyl)oxy]-3-(1-propan-2-ylpiperidin-3-yl)pyrazine is Cc1ncccc1Oc1nccnc1C1CCCN(C(C)C)C1.
What is the InChIKey of 2-[(2-methyl-3-pyridinyl)oxy]-3-(1-propan-2-ylpiperidin-3-yl)pyrazine?
The InChIKey is ZSOUVQTVDJWYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-13(2)22-11-5-6-15(12-22)17-18(21-10-9-20-17)23-16-7-4-8-19-14(16)3/h4,7-10,13,15H,5-6,11-12H2,1-3H3.
What are the key properties of 2-[(2-methyl-3-pyridinyl)oxy]-3-(1-propan-2-ylpiperidin-3-yl)pyrazine?
2-[(2-methyl-3-pyridinyl)oxy]-3-(1-propan-2-ylpiperidin-3-yl)pyrazine has a molecular weight of 312.42 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-3-pyridinyl)oxy]-3-(1-propan-2-ylpiperidin-3-yl)pyrazine is sourced from PubChem (CID 110269984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).