pyridin-3-yl-[(5S)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone

C20H24N4O — CID 97450112

IUPACpyridin-3-yl-[(5S)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone
SMILESO=C(c1cccnc1)N1CCC[C@@]2(CCN(Cc3cccnc3)C2)C1
InChIInChI=1S/C20H24N4O/c25-19(18-5-2-9-22-13-18)24-10-3-6-20(16-24)7-11-23(15-20)14-17-4-1-8-21-12-17/h1-2,4-5,8-9,12-13H,3,6-7,10-11,14-16H2/t20-/m0/s1
InChIKeyYVRDXDVJPXFRBG-FQEVSTJZSA-N
MW336.44 g/mol
LogP2.60
Rot. Bonds3

About pyridin-3-yl-[(5S)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone

pyridin-3-yl-[(5S)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone (PubChem CID 97450112) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is pyridin-3-yl-[(5S)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone.

Molecular Properties

Compound Namepyridin-3-yl-[(5S)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone
PubChem CID97450112
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Namepyridin-3-yl-[(5S)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone
SMILESO=C(c1cccnc1)N1CCC[C@@]2(CCN(Cc3cccnc3)C2)C1
InChIInChI=1S/C20H24N4O/c25-19(18-5-2-9-22-13-18)24-10-3-6-20(16-24)7-11-23(15-20)14-17-4-1-8-21-12-17/h1-2,4-5,8-9,12-13H,3,6-7,10-11,14-16H2/t20-/m0/s1
InChIKeyYVRDXDVJPXFRBG-FQEVSTJZSA-N
XLogP2.60
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze pyridin-3-yl-[(5S)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone with MolForge

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Related Compounds

[2-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-pyridin-3-ylmethanone
CID 131661981
pyridin-3-yl-[2-(pyridin-4-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone;tris(2,2,2-trifluoroacetic acid)
CID 171672638
(3,5-dimethoxyphenyl)-[(5R)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 95208822
[9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-pyridin-3-ylmethanone
CID 45195230
[7-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.4]octan-2-yl]-pyrrolidin-1-ylmethanone
CID 97392828
2-azaspiro[5.5]undecan-2-yl(pyridin-3-yl)methanone
CID 54582941
5-(9-benzyl-2,9-diazaspiro[4.5]decane-2-carbonyl)pyridine-3-carboxylic acid
CID 166254868
(1,3-dimethylpyrazol-4-yl)-[8-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-2-yl]methanone
CID 155876999
[2-(oxolan-3-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]-pyridin-3-ylmethanone
CID 131639584
[7-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[3.4]octan-2-yl]-pyridin-3-ylmethanone
CID 97472688
[2-(furan-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]-pyridin-3-ylmethanone
CID 97370057
(2-methylsulfonyl-2,9-diazaspiro[4.5]decan-9-yl)-pyridin-3-ylmethanone
CID 131638627

Frequently Asked Questions

What is the IUPAC name of pyridin-3-yl-[(5S)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone?
The IUPAC name of pyridin-3-yl-[(5S)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone (CID 97450112) is pyridin-3-yl-[(5S)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone.
What is the SMILES notation for pyridin-3-yl-[(5S)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone?
The canonical SMILES for pyridin-3-yl-[(5S)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone is O=C(c1cccnc1)N1CCC[C@@]2(CCN(Cc3cccnc3)C2)C1.
What is the InChIKey of pyridin-3-yl-[(5S)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone?
The InChIKey is YVRDXDVJPXFRBG-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H24N4O/c25-19(18-5-2-9-22-13-18)24-10-3-6-20(16-24)7-11-23(15-20)14-17-4-1-8-21-12-17/h1-2,4-5,8-9,12-13H,3,6-7,10-11,14-16H2/t20-/m0/s1.
What are the key properties of pyridin-3-yl-[(5S)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone?
pyridin-3-yl-[(5S)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone has a molecular weight of 336.44 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-3-yl-[(5S)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone is sourced from PubChem (CID 97450112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).