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

C17H20N4 — CID 97472517

IUPAC2-pyridin-2-yl-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.4]octane
SMILESc1ccc(N2CC3(CCN(Cc4cccnc4)C3)C2)nc1
InChIInChI=1S/C17H20N4/c1-2-8-19-16(5-1)21-13-17(14-21)6-9-20(12-17)11-15-4-3-7-18-10-15/h1-5,7-8,10H,6,9,11-14H2
InChIKeyCRDQBYDAQCSXTJ-UHFFFAOYSA-N
MW280.38 g/mol
LogP2.19
Rot. Bonds3

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

2-pyridin-2-yl-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.4]octane (PubChem CID 97472517) has the molecular formula C17H20N4 and a molecular weight of 280.38 g/mol. Its IUPAC name is 2-pyridin-2-yl-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.4]octane.

Molecular Properties

Compound Name2-pyridin-2-yl-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.4]octane
PubChem CID97472517
Molecular FormulaC17H20N4
Molecular Weight280.38 g/mol
Exact Mass280.17
IUPAC Name2-pyridin-2-yl-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.4]octane
SMILESc1ccc(N2CC3(CCN(Cc4cccnc4)C3)C2)nc1
InChIInChI=1S/C17H20N4/c1-2-8-19-16(5-1)21-13-17(14-21)6-9-20(12-17)11-15-4-3-7-18-10-15/h1-5,7-8,10H,6,9,11-14H2
InChIKeyCRDQBYDAQCSXTJ-UHFFFAOYSA-N
XLogP2.19
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.4]octane?
The IUPAC name of 2-pyridin-2-yl-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.4]octane (CID 97472517) is 2-pyridin-2-yl-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.4]octane.
What is the SMILES notation for 2-pyridin-2-yl-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.4]octane?
The canonical SMILES for 2-pyridin-2-yl-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.4]octane is c1ccc(N2CC3(CCN(Cc4cccnc4)C3)C2)nc1.
What is the InChIKey of 2-pyridin-2-yl-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.4]octane?
The InChIKey is CRDQBYDAQCSXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c1-2-8-19-16(5-1)21-13-17(14-21)6-9-20(12-17)11-15-4-3-7-18-10-15/h1-5,7-8,10H,6,9,11-14H2.
What are the key properties of 2-pyridin-2-yl-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.4]octane?
2-pyridin-2-yl-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.4]octane has a molecular weight of 280.38 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yl-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.4]octane is sourced from PubChem (CID 97472517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).