8-(5-chloro-2-pyridinyl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one

C20H23ClN4O — CID 70725420

IUPAC8-(5-chloro-2-pyridinyl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESO=C1CCC2(CCCN(c3ccc(Cl)cn3)C2)CN1Cc1ccncc1
InChIInChI=1S/C20H23ClN4O/c21-17-2-3-18(23-12-17)24-11-1-7-20(14-24)8-4-19(26)25(15-20)13-16-5-9-22-10-6-16/h2-3,5-6,9-10,12H,1,4,7-8,11,13-15H2
InChIKeyLNNPEOKZRGRZCC-UHFFFAOYSA-N
MW370.88 g/mol
LogP3.54
Rot. Bonds3

About 8-(5-chloro-2-pyridinyl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one

8-(5-chloro-2-pyridinyl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 70725420) has the molecular formula C20H23ClN4O and a molecular weight of 370.88 g/mol. Its IUPAC name is 8-(5-chloro-2-pyridinyl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name8-(5-chloro-2-pyridinyl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID70725420
Molecular FormulaC20H23ClN4O
Molecular Weight370.88 g/mol
Exact Mass370.16
IUPAC Name8-(5-chloro-2-pyridinyl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESO=C1CCC2(CCCN(c3ccc(Cl)cn3)C2)CN1Cc1ccncc1
InChIInChI=1S/C20H23ClN4O/c21-17-2-3-18(23-12-17)24-11-1-7-20(14-24)8-4-19(26)25(15-20)13-16-5-9-22-10-6-16/h2-3,5-6,9-10,12H,1,4,7-8,11,13-15H2
InChIKeyLNNPEOKZRGRZCC-UHFFFAOYSA-N
XLogP3.54
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-(5-chloro-2-pyridinyl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one with MolForge

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Related Compounds

(6R)-2-(pyridin-4-ylmethyl)-8-quinoxalin-2-yl-2,8-diazaspiro[5.5]undecan-3-one
CID 97117074
(6R)-8-(6-methoxypyrimidin-4-yl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 97144190
(6R)-8-(5-methyl-2-pyridinyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95870080
(6R)-2-(pyridin-4-ylmethyl)-8-(1,3-thiazol-2-yl)-2,8-diazaspiro[5.5]undecan-3-one
CID 97148493
(6S)-8-(5-methoxypyrimidin-2-yl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95884972
(6S)-8-(5-ethyl-2-methylpyrimidin-4-yl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95867499
(6R)-8-pyrazin-2-yl-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95889268
(6R)-8-(6-methylpyridazin-3-yl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95870283
8-butyl-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70745912
2-[(5-methylpyrazin-2-yl)methyl]-8-pyridin-2-yl-2,8-diazaspiro[5.5]undecan-3-one
CID 70711857
(6S)-8-(2-methoxyacetyl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95891961
7-(5-chloro-2-pyridinyl)-2-methyl-2,7-diazaspiro[4.5]decane
CID 56749174

Frequently Asked Questions

What is the IUPAC name of 8-(5-chloro-2-pyridinyl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 8-(5-chloro-2-pyridinyl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one (CID 70725420) is 8-(5-chloro-2-pyridinyl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 8-(5-chloro-2-pyridinyl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 8-(5-chloro-2-pyridinyl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one is O=C1CCC2(CCCN(c3ccc(Cl)cn3)C2)CN1Cc1ccncc1.
What is the InChIKey of 8-(5-chloro-2-pyridinyl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is LNNPEOKZRGRZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O/c21-17-2-3-18(23-12-17)24-11-1-7-20(14-24)8-4-19(26)25(15-20)13-16-5-9-22-10-6-16/h2-3,5-6,9-10,12H,1,4,7-8,11,13-15H2.
What are the key properties of 8-(5-chloro-2-pyridinyl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one?
8-(5-chloro-2-pyridinyl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 370.88 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-chloro-2-pyridinyl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70725420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).