2-(3-methyl-2-pyridinyl)-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.4]octane

C18H22N4 — CID 97472522

IUPAC2-(3-methyl-2-pyridinyl)-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.4]octane
SMILESCc1cccnc1N1CC2(CCN(Cc3cccnc3)C2)C1
InChIInChI=1S/C18H22N4/c1-15-4-2-8-20-17(15)22-13-18(14-22)6-9-21(12-18)11-16-5-3-7-19-10-16/h2-5,7-8,10H,6,9,11-14H2,1H3
InChIKeyHQUZGYAFRRDBKL-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.50
Rot. Bonds3

About 2-(3-methyl-2-pyridinyl)-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.4]octane

2-(3-methyl-2-pyridinyl)-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.4]octane (PubChem CID 97472522) has the molecular formula C18H22N4 and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-(3-methyl-2-pyridinyl)-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.4]octane.

Molecular Properties

Compound Name2-(3-methyl-2-pyridinyl)-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.4]octane
PubChem CID97472522
Molecular FormulaC18H22N4
Molecular Weight294.40 g/mol
Exact Mass294.18
IUPAC Name2-(3-methyl-2-pyridinyl)-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.4]octane
SMILESCc1cccnc1N1CC2(CCN(Cc3cccnc3)C2)C1
InChIInChI=1S/C18H22N4/c1-15-4-2-8-20-17(15)22-13-18(14-22)6-9-21(12-18)11-16-5-3-7-19-10-16/h2-5,7-8,10H,6,9,11-14H2,1H3
InChIKeyHQUZGYAFRRDBKL-UHFFFAOYSA-N
XLogP2.50
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2-pyridinyl)-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.4]octane?
The IUPAC name of 2-(3-methyl-2-pyridinyl)-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.4]octane (CID 97472522) is 2-(3-methyl-2-pyridinyl)-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.4]octane.
What is the SMILES notation for 2-(3-methyl-2-pyridinyl)-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.4]octane?
The canonical SMILES for 2-(3-methyl-2-pyridinyl)-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.4]octane is Cc1cccnc1N1CC2(CCN(Cc3cccnc3)C2)C1.
What is the InChIKey of 2-(3-methyl-2-pyridinyl)-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.4]octane?
The InChIKey is HQUZGYAFRRDBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4/c1-15-4-2-8-20-17(15)22-13-18(14-22)6-9-21(12-18)11-16-5-3-7-19-10-16/h2-5,7-8,10H,6,9,11-14H2,1H3.
What are the key properties of 2-(3-methyl-2-pyridinyl)-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.4]octane?
2-(3-methyl-2-pyridinyl)-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.4]octane has a molecular weight of 294.40 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2-pyridinyl)-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.4]octane is sourced from PubChem (CID 97472522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).