1-methyl-8-[(6-methyl-2-pyridinyl)methyl]-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one

C21H26N4O — CID 118746505

IUPAC1-methyl-8-[(6-methyl-2-pyridinyl)methyl]-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
SMILESCc1cccc(CN2CCC3(CC2)CC(c2cccnc2)C(=O)N3C)n1
InChIInChI=1S/C21H26N4O/c1-16-5-3-7-18(23-16)15-25-11-8-21(9-12-25)13-19(20(26)24(21)2)17-6-4-10-22-14-17/h3-7,10,14,19H,8-9,11-13,15H2,1-2H3
InChIKeyOPOKYBHTUHRJIG-UHFFFAOYSA-N
MW350.47 g/mol
LogP2.77
Rot. Bonds3

About 1-methyl-8-[(6-methyl-2-pyridinyl)methyl]-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one

1-methyl-8-[(6-methyl-2-pyridinyl)methyl]-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 118746505) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is 1-methyl-8-[(6-methyl-2-pyridinyl)methyl]-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name1-methyl-8-[(6-methyl-2-pyridinyl)methyl]-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
PubChem CID118746505
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name1-methyl-8-[(6-methyl-2-pyridinyl)methyl]-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
SMILESCc1cccc(CN2CCC3(CC2)CC(c2cccnc2)C(=O)N3C)n1
InChIInChI=1S/C21H26N4O/c1-16-5-3-7-18(23-16)15-25-11-8-21(9-12-25)13-19(20(26)24(21)2)17-6-4-10-22-14-17/h3-7,10,14,19H,8-9,11-13,15H2,1-2H3
InChIKeyOPOKYBHTUHRJIG-UHFFFAOYSA-N
XLogP2.77
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-8-[(6-methyl-2-pyridinyl)methyl]-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 1-methyl-8-[(6-methyl-2-pyridinyl)methyl]-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one (CID 118746505) is 1-methyl-8-[(6-methyl-2-pyridinyl)methyl]-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 1-methyl-8-[(6-methyl-2-pyridinyl)methyl]-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 1-methyl-8-[(6-methyl-2-pyridinyl)methyl]-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one is Cc1cccc(CN2CCC3(CC2)CC(c2cccnc2)C(=O)N3C)n1.
What is the InChIKey of 1-methyl-8-[(6-methyl-2-pyridinyl)methyl]-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is OPOKYBHTUHRJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c1-16-5-3-7-18(23-16)15-25-11-8-21(9-12-25)13-19(20(26)24(21)2)17-6-4-10-22-14-17/h3-7,10,14,19H,8-9,11-13,15H2,1-2H3.
What are the key properties of 1-methyl-8-[(6-methyl-2-pyridinyl)methyl]-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one?
1-methyl-8-[(6-methyl-2-pyridinyl)methyl]-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 350.47 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-8-[(6-methyl-2-pyridinyl)methyl]-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 118746505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).