9-(pyridine-3-carbonyl)-2-(2-pyridin-4-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one

C22H26N4O2 — CID 72887931

IUPAC9-(pyridine-3-carbonyl)-2-(2-pyridin-4-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1CCC2(CCN(C(=O)c3cccnc3)CC2)CN1CCc1ccncc1
InChIInChI=1S/C22H26N4O2/c27-20-3-7-22(17-26(20)13-6-18-4-11-23-12-5-18)8-14-25(15-9-22)21(28)19-2-1-10-24-16-19/h1-2,4-5,10-12,16H,3,6-9,13-15,17H2
InChIKeyAHOPSQHNXVJJTB-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.56
Rot. Bonds4

About 9-(pyridine-3-carbonyl)-2-(2-pyridin-4-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one

9-(pyridine-3-carbonyl)-2-(2-pyridin-4-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 72887931) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 9-(pyridine-3-carbonyl)-2-(2-pyridin-4-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-(pyridine-3-carbonyl)-2-(2-pyridin-4-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID72887931
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name9-(pyridine-3-carbonyl)-2-(2-pyridin-4-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1CCC2(CCN(C(=O)c3cccnc3)CC2)CN1CCc1ccncc1
InChIInChI=1S/C22H26N4O2/c27-20-3-7-22(17-26(20)13-6-18-4-11-23-12-5-18)8-14-25(15-9-22)21(28)19-2-1-10-24-16-19/h1-2,4-5,10-12,16H,3,6-9,13-15,17H2
InChIKeyAHOPSQHNXVJJTB-UHFFFAOYSA-N
XLogP2.56
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-(pyridine-3-carbonyl)-2-(2-pyridin-4-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-(pyridine-3-carbonyl)-2-(2-pyridin-4-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one (CID 72887931) is 9-(pyridine-3-carbonyl)-2-(2-pyridin-4-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-(pyridine-3-carbonyl)-2-(2-pyridin-4-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-(pyridine-3-carbonyl)-2-(2-pyridin-4-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one is O=C1CCC2(CCN(C(=O)c3cccnc3)CC2)CN1CCc1ccncc1.
What is the InChIKey of 9-(pyridine-3-carbonyl)-2-(2-pyridin-4-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is AHOPSQHNXVJJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c27-20-3-7-22(17-26(20)13-6-18-4-11-23-12-5-18)8-14-25(15-9-22)21(28)19-2-1-10-24-16-19/h1-2,4-5,10-12,16H,3,6-9,13-15,17H2.
What are the key properties of 9-(pyridine-3-carbonyl)-2-(2-pyridin-4-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one?
9-(pyridine-3-carbonyl)-2-(2-pyridin-4-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 378.48 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(pyridine-3-carbonyl)-2-(2-pyridin-4-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72887931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).