9-(6-methyl-2-pyridinyl)-4-pyridin-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C19H22N4O2 — CID 134073634

IUPAC9-(6-methyl-2-pyridinyl)-4-pyridin-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCc1cccc(N2CCC3(CC2)CN(c2cccnc2)C(=O)CO3)n1
InChIInChI=1S/C19H22N4O2/c1-15-4-2-6-17(21-15)22-10-7-19(8-11-22)14-23(18(24)13-25-19)16-5-3-9-20-12-16/h2-6,9,12H,7-8,10-11,13-14H2,1H3
InChIKeyJOLICFIDPMSPNH-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.19
Rot. Bonds2

About 9-(6-methyl-2-pyridinyl)-4-pyridin-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

9-(6-methyl-2-pyridinyl)-4-pyridin-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 134073634) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 9-(6-methyl-2-pyridinyl)-4-pyridin-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-(6-methyl-2-pyridinyl)-4-pyridin-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID134073634
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name9-(6-methyl-2-pyridinyl)-4-pyridin-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCc1cccc(N2CCC3(CC2)CN(c2cccnc2)C(=O)CO3)n1
InChIInChI=1S/C19H22N4O2/c1-15-4-2-6-17(21-15)22-10-7-19(8-11-22)14-23(18(24)13-25-19)16-5-3-9-20-12-16/h2-6,9,12H,7-8,10-11,13-14H2,1H3
InChIKeyJOLICFIDPMSPNH-UHFFFAOYSA-N
XLogP2.19
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-(6-methyl-2-pyridinyl)-4-pyridin-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-(6-methyl-2-pyridinyl)-4-pyridin-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 134073634) is 9-(6-methyl-2-pyridinyl)-4-pyridin-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-(6-methyl-2-pyridinyl)-4-pyridin-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-(6-methyl-2-pyridinyl)-4-pyridin-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is Cc1cccc(N2CCC3(CC2)CN(c2cccnc2)C(=O)CO3)n1.
What is the InChIKey of 9-(6-methyl-2-pyridinyl)-4-pyridin-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is JOLICFIDPMSPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-15-4-2-6-17(21-15)22-10-7-19(8-11-22)14-23(18(24)13-25-19)16-5-3-9-20-12-16/h2-6,9,12H,7-8,10-11,13-14H2,1H3.
What are the key properties of 9-(6-methyl-2-pyridinyl)-4-pyridin-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
9-(6-methyl-2-pyridinyl)-4-pyridin-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 338.41 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(6-methyl-2-pyridinyl)-4-pyridin-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 134073634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).