9-pyridin-2-yl-4-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C19H22N4O2 — CID 97385654

IUPAC9-pyridin-2-yl-4-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1COC2(CCN(c3ccccn3)CC2)CN1Cc1ccccn1
InChIInChI=1S/C19H22N4O2/c24-18-14-25-19(15-23(18)13-16-5-1-3-9-20-16)7-11-22(12-8-19)17-6-2-4-10-21-17/h1-6,9-10H,7-8,11-15H2
InChIKeyRXIJWDKICAKKJK-UHFFFAOYSA-N
MW338.41 g/mol
LogP1.87
Rot. Bonds3

About 9-pyridin-2-yl-4-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

9-pyridin-2-yl-4-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 97385654) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 9-pyridin-2-yl-4-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-pyridin-2-yl-4-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID97385654
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name9-pyridin-2-yl-4-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1COC2(CCN(c3ccccn3)CC2)CN1Cc1ccccn1
InChIInChI=1S/C19H22N4O2/c24-18-14-25-19(15-23(18)13-16-5-1-3-9-20-16)7-11-22(12-8-19)17-6-2-4-10-21-17/h1-6,9-10H,7-8,11-15H2
InChIKeyRXIJWDKICAKKJK-UHFFFAOYSA-N
XLogP1.87
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-pyridin-2-yl-4-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-pyridin-2-yl-4-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 97385654) is 9-pyridin-2-yl-4-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-pyridin-2-yl-4-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-pyridin-2-yl-4-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is O=C1COC2(CCN(c3ccccn3)CC2)CN1Cc1ccccn1.
What is the InChIKey of 9-pyridin-2-yl-4-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is RXIJWDKICAKKJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c24-18-14-25-19(15-23(18)13-16-5-1-3-9-20-16)7-11-22(12-8-19)17-6-2-4-10-21-17/h1-6,9-10H,7-8,11-15H2.
What are the key properties of 9-pyridin-2-yl-4-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
9-pyridin-2-yl-4-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 338.41 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-pyridin-2-yl-4-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 97385654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).