2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one

C23H30N4O2 — CID 56912097

IUPAC2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCOc1c(C)cnc(CN2CCC3(CCCN(Cc4cccnc4)C3=O)C2)c1C
InChIInChI=1S/C23H30N4O2/c1-17-12-25-20(18(2)21(17)29-3)15-26-11-8-23(16-26)7-5-10-27(22(23)28)14-19-6-4-9-24-13-19/h4,6,9,12-13H,5,7-8,10-11,14-16H2,1-3H3
InChIKeyPVSPXAUPPIRNNH-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.12
Rot. Bonds5

About 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one

2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 56912097) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID56912097
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC Name2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCOc1c(C)cnc(CN2CCC3(CCCN(Cc4cccnc4)C3=O)C2)c1C
InChIInChI=1S/C23H30N4O2/c1-17-12-25-20(18(2)21(17)29-3)15-26-11-8-23(16-26)7-5-10-27(22(23)28)14-19-6-4-9-24-13-19/h4,6,9,12-13H,5,7-8,10-11,14-16H2,1-3H3
InChIKeyPVSPXAUPPIRNNH-UHFFFAOYSA-N
XLogP3.12
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one with MolForge

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Related Compounds

2-[(2,5-dimethylphenyl)methyl]-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45244514
2-[(2-ethoxyphenyl)methyl]-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45216412
(5R)-2-[(E)-2-methylbut-2-enyl]-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 26396599
(5S)-2-(2-methoxyethyl)-9-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 97489875
(5S)-2-[(2,3-dimethylimidazol-4-yl)methyl]-7-[(3-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 25285350
9-[(2-methyl-1H-imidazol-5-yl)methyl]-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one
CID 98897204
9-[(1-methylpyrrol-2-yl)methyl]-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 134075078
(5R)-9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 97395689
9-(cyclopropylmethyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 131657343
(5S)-2-(pyridin-3-ylmethyl)-9-(thiophen-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 97490108
(5S)-2-(pyridin-3-ylmethyl)-9-pyrimidin-2-yl-2,9-diazaspiro[4.5]decan-1-one
CID 97490113
(5S)-9-(2-methoxyacetyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 97371896

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one (CID 56912097) is 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one is COc1c(C)cnc(CN2CCC3(CCCN(Cc4cccnc4)C3=O)C2)c1C.
What is the InChIKey of 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is PVSPXAUPPIRNNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-17-12-25-20(18(2)21(17)29-3)15-26-11-8-23(16-26)7-5-10-27(22(23)28)14-19-6-4-9-24-13-19/h4,6,9,12-13H,5,7-8,10-11,14-16H2,1-3H3.
What are the key properties of 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one?
2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 394.52 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 56912097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).