1-[(3-chloro-4-pyridinyl)methyl]-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one

C20H23ClN4O — CID 162626574

IUPAC1-[(3-chloro-4-pyridinyl)methyl]-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one
SMILESO=C1N(Cc2ccccn2)CCCC12CCCN2Cc1ccncc1Cl
InChIInChI=1S/C20H23ClN4O/c21-18-13-22-10-6-16(18)14-25-12-4-8-20(25)7-3-11-24(19(20)26)15-17-5-1-2-9-23-17/h1-2,5-6,9-10,13H,3-4,7-8,11-12,14-15H2
InChIKeyQYWTWTHELFWGFQ-UHFFFAOYSA-N
MW370.88 g/mol
LogP3.29
Rot. Bonds4

About 1-[(3-chloro-4-pyridinyl)methyl]-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one

1-[(3-chloro-4-pyridinyl)methyl]-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one (PubChem CID 162626574) has the molecular formula C20H23ClN4O and a molecular weight of 370.88 g/mol. Its IUPAC name is 1-[(3-chloro-4-pyridinyl)methyl]-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name1-[(3-chloro-4-pyridinyl)methyl]-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one
PubChem CID162626574
Molecular FormulaC20H23ClN4O
Molecular Weight370.88 g/mol
Exact Mass370.16
IUPAC Name1-[(3-chloro-4-pyridinyl)methyl]-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one
SMILESO=C1N(Cc2ccccn2)CCCC12CCCN2Cc1ccncc1Cl
InChIInChI=1S/C20H23ClN4O/c21-18-13-22-10-6-16(18)14-25-12-4-8-20(25)7-3-11-24(19(20)26)15-17-5-1-2-9-23-17/h1-2,5-6,9-10,13H,3-4,7-8,11-12,14-15H2
InChIKeyQYWTWTHELFWGFQ-UHFFFAOYSA-N
XLogP3.29
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1H-imidazol-5-ylmethyl)-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162634959
1-[(2-amino-3-pyridinyl)methyl]-9-benzyl-1,9-diazaspiro[4.5]decan-10-one
CID 162628202
1-(3-pyrazin-2-ylpropanoyl)-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 164692870
1-(6-oxo-1H-pyrazine-3-carbonyl)-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 157015414
1-[2-(1,3-dimethylpyrazol-4-yl)acetyl]-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 163311205
1-(2-methyl-1,3-thiazole-4-carbonyl)-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162627802
2-[4-[(9-benzyl-10-oxo-1,9-diazaspiro[4.5]decan-1-yl)methyl]phenyl]acetic acid
CID 163311970
1-[(3-chloro-4-pyridinyl)methyl]-2-methylpiperidine-2-carboxylic acid
CID 113431096
1-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 163313841
1-[(2-chloro-3-hydroxyphenyl)methyl]-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162634689
(2S)-1-[(2-chlorophenyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 124944335
1-[(4-chloro-2-fluorophenyl)methyl]-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162625681

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-4-pyridinyl)methyl]-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one?
The IUPAC name of 1-[(3-chloro-4-pyridinyl)methyl]-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one (CID 162626574) is 1-[(3-chloro-4-pyridinyl)methyl]-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one.
What is the SMILES notation for 1-[(3-chloro-4-pyridinyl)methyl]-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one?
The canonical SMILES for 1-[(3-chloro-4-pyridinyl)methyl]-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one is O=C1N(Cc2ccccn2)CCCC12CCCN2Cc1ccncc1Cl.
What is the InChIKey of 1-[(3-chloro-4-pyridinyl)methyl]-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one?
The InChIKey is QYWTWTHELFWGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O/c21-18-13-22-10-6-16(18)14-25-12-4-8-20(25)7-3-11-24(19(20)26)15-17-5-1-2-9-23-17/h1-2,5-6,9-10,13H,3-4,7-8,11-12,14-15H2.
What are the key properties of 1-[(3-chloro-4-pyridinyl)methyl]-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one?
1-[(3-chloro-4-pyridinyl)methyl]-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one has a molecular weight of 370.88 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloro-4-pyridinyl)methyl]-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 162626574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).