pyridin-4-yl-(2-pyridin-4-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone

C20H24N4O — CID 3235542

IUPACpyridin-4-yl-(2-pyridin-4-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone
SMILESO=C(c1ccncc1)N1CCC2(CCCN(c3ccncc3)C2)CC1
InChIInChI=1S/C20H24N4O/c25-19(17-2-9-21-10-3-17)23-14-7-20(8-15-23)6-1-13-24(16-20)18-4-11-22-12-5-18/h2-5,9-12H,1,6-8,13-16H2
InChIKeyHMLXJWMDEKTNED-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.00
Rot. Bonds2

About pyridin-4-yl-(2-pyridin-4-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone

pyridin-4-yl-(2-pyridin-4-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone (PubChem CID 3235542) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is pyridin-4-yl-(2-pyridin-4-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone.

Molecular Properties

Compound Namepyridin-4-yl-(2-pyridin-4-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone
PubChem CID3235542
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Namepyridin-4-yl-(2-pyridin-4-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone
SMILESO=C(c1ccncc1)N1CCC2(CCCN(c3ccncc3)C2)CC1
InChIInChI=1S/C20H24N4O/c25-19(17-2-9-21-10-3-17)23-14-7-20(8-15-23)6-1-13-24(16-20)18-4-11-22-12-5-18/h2-5,9-12H,1,6-8,13-16H2
InChIKeyHMLXJWMDEKTNED-UHFFFAOYSA-N
XLogP3.00
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3,5-bis(trifluoromethyl)phenyl]-(2-pyridin-4-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone
CID 3235071
pyridin-4-yl-(2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone
CID 3234054
[9-(1H-pyrazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-2-yl]-pyridin-4-ylmethanone
CID 167940871
(1-methylpyrrol-2-yl)-[(5S)-2-pyridin-4-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 3235211
(4,4-dimethylpiperidin-1-yl)-pyridin-4-ylmethanone
CID 110738617
[3,5-bis(trifluoromethyl)phenyl]-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone
CID 3233715
[(5S)-7-(pyrazine-2-carbonyl)-2,7-diazaspiro[4.5]decan-2-yl]-pyridin-4-ylmethanone
CID 97370481
(4-methoxyphenyl)-(2-pyridin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone
CID 3235378
tert-butyl 2,9-diazaspiro[5.5]undecane-9-carboxylate;2-pyridin-4-yl-2,9-diazaspiro[5.5]undecane-9-carboxylic acid
CID 66700987
(1-methylpyrrol-2-yl)-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone
CID 3234689
4-[4-(2-pyridin-4-yl-2,8-diazaspiro[4.5]decane-8-carbonyl)piperazin-1-yl]butanoic acid
CID 59047355
pyridin-4-yl-[9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 131649206

Frequently Asked Questions

What is the IUPAC name of pyridin-4-yl-(2-pyridin-4-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone?
The IUPAC name of pyridin-4-yl-(2-pyridin-4-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone (CID 3235542) is pyridin-4-yl-(2-pyridin-4-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone.
What is the SMILES notation for pyridin-4-yl-(2-pyridin-4-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone?
The canonical SMILES for pyridin-4-yl-(2-pyridin-4-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone is O=C(c1ccncc1)N1CCC2(CCCN(c3ccncc3)C2)CC1.
What is the InChIKey of pyridin-4-yl-(2-pyridin-4-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone?
The InChIKey is HMLXJWMDEKTNED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c25-19(17-2-9-21-10-3-17)23-14-7-20(8-15-23)6-1-13-24(16-20)18-4-11-22-12-5-18/h2-5,9-12H,1,6-8,13-16H2.
What are the key properties of pyridin-4-yl-(2-pyridin-4-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone?
pyridin-4-yl-(2-pyridin-4-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone has a molecular weight of 336.44 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-4-yl-(2-pyridin-4-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone is sourced from PubChem (CID 3235542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).