8-(pyridine-4-carbonyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one

C20H22N4O2 — CID 97370300

IUPAC8-(pyridine-4-carbonyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C(c1ccncc1)N1CCC2(CC1)CCN(Cc1ccccn1)C2=O
InChIInChI=1S/C20H22N4O2/c25-18(16-4-10-21-11-5-16)23-12-6-20(7-13-23)8-14-24(19(20)26)15-17-3-1-2-9-22-17/h1-5,9-11H,6-8,12-15H2
InChIKeyHFTUVUNDWRWSAC-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.13
Rot. Bonds3

About 8-(pyridine-4-carbonyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one

8-(pyridine-4-carbonyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 97370300) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 8-(pyridine-4-carbonyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-(pyridine-4-carbonyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one
PubChem CID97370300
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name8-(pyridine-4-carbonyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C(c1ccncc1)N1CCC2(CC1)CCN(Cc1ccccn1)C2=O
InChIInChI=1S/C20H22N4O2/c25-18(16-4-10-21-11-5-16)23-12-6-20(7-13-23)8-14-24(19(20)26)15-17-3-1-2-9-22-17/h1-5,9-11H,6-8,12-15H2
InChIKeyHFTUVUNDWRWSAC-UHFFFAOYSA-N
XLogP2.13
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(pyridine-4-carbonyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-(pyridine-4-carbonyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one (CID 97370300) is 8-(pyridine-4-carbonyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-(pyridine-4-carbonyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-(pyridine-4-carbonyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one is O=C(c1ccncc1)N1CCC2(CC1)CCN(Cc1ccccn1)C2=O.
What is the InChIKey of 8-(pyridine-4-carbonyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is HFTUVUNDWRWSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c25-18(16-4-10-21-11-5-16)23-12-6-20(7-13-23)8-14-24(19(20)26)15-17-3-1-2-9-22-17/h1-5,9-11H,6-8,12-15H2.
What are the key properties of 8-(pyridine-4-carbonyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one?
8-(pyridine-4-carbonyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 350.42 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(pyridine-4-carbonyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 97370300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).