2-methyl-8-[5-(4-methylphenyl)pyridine-3-carbonyl]-2,8-diazaspiro[4.5]decan-1-one

C22H25N3O2 — CID 139012982

IUPAC2-methyl-8-[5-(4-methylphenyl)pyridine-3-carbonyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESCc1ccc(-c2cncc(C(=O)N3CCC4(CCN(C)C4=O)CC3)c2)cc1
InChIInChI=1S/C22H25N3O2/c1-16-3-5-17(6-4-16)18-13-19(15-23-14-18)20(26)25-11-8-22(9-12-25)7-10-24(2)21(22)27/h3-6,13-15H,7-12H2,1-2H3
InChIKeyNXQFCQFFWXPPOA-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.14
Rot. Bonds2

About 2-methyl-8-[5-(4-methylphenyl)pyridine-3-carbonyl]-2,8-diazaspiro[4.5]decan-1-one

2-methyl-8-[5-(4-methylphenyl)pyridine-3-carbonyl]-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 139012982) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 2-methyl-8-[5-(4-methylphenyl)pyridine-3-carbonyl]-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name2-methyl-8-[5-(4-methylphenyl)pyridine-3-carbonyl]-2,8-diazaspiro[4.5]decan-1-one
PubChem CID139012982
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name2-methyl-8-[5-(4-methylphenyl)pyridine-3-carbonyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESCc1ccc(-c2cncc(C(=O)N3CCC4(CCN(C)C4=O)CC3)c2)cc1
InChIInChI=1S/C22H25N3O2/c1-16-3-5-17(6-4-16)18-13-19(15-23-14-18)20(26)25-11-8-22(9-12-25)7-10-24(2)21(22)27/h3-6,13-15H,7-12H2,1-2H3
InChIKeyNXQFCQFFWXPPOA-UHFFFAOYSA-N
XLogP3.14
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methoxy-4-methylpiperidin-1-yl)-[5-(4-methoxyphenyl)-3-pyridinyl]methanone
CID 146125670
[5-(4-chlorophenyl)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 42845797
3,9-diazabicyclo[4.2.1]nonan-3-yl-[5-(4-methylphenyl)-3-pyridinyl]methanone
CID 119637803
1-[4-[5-(morpholine-4-carbonyl)-3-pyridinyl]phenyl]ethanone
CID 42845751
[5-(4-methylphenyl)-3-pyridinyl]-(2-methylpyrrolidin-1-yl)methanone
CID 10446398
9-(5-fluoropyridine-3-carbonyl)-4-methoxy-2-methyl-2,9-diazaspiro[5.5]undecan-1-one
CID 171914992
2-methyl-9-(thiophene-3-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one
CID 131680090
[5-(4-chlorophenyl)-3-pyridinyl]-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone
CID 126788593
N,N-dimethyl-4-(5-phenylpyridine-3-carbonyl)piperazine-1-carboxamide
CID 71920561
[5-(3,4-dimethoxyphenyl)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 42845923
[4-(methylamino)piperidin-1-yl]-(5-phenyl-3-pyridinyl)methanone
CID 119561943
[4-(aminomethyl)-4-hydroxypiperidin-1-yl]-[5-(4-methoxy-2-methylphenyl)-3-pyridinyl]methanone
CID 138057111

Frequently Asked Questions

What is the IUPAC name of 2-methyl-8-[5-(4-methylphenyl)pyridine-3-carbonyl]-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 2-methyl-8-[5-(4-methylphenyl)pyridine-3-carbonyl]-2,8-diazaspiro[4.5]decan-1-one (CID 139012982) is 2-methyl-8-[5-(4-methylphenyl)pyridine-3-carbonyl]-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 2-methyl-8-[5-(4-methylphenyl)pyridine-3-carbonyl]-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 2-methyl-8-[5-(4-methylphenyl)pyridine-3-carbonyl]-2,8-diazaspiro[4.5]decan-1-one is Cc1ccc(-c2cncc(C(=O)N3CCC4(CCN(C)C4=O)CC3)c2)cc1.
What is the InChIKey of 2-methyl-8-[5-(4-methylphenyl)pyridine-3-carbonyl]-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is NXQFCQFFWXPPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-16-3-5-17(6-4-16)18-13-19(15-23-14-18)20(26)25-11-8-22(9-12-25)7-10-24(2)21(22)27/h3-6,13-15H,7-12H2,1-2H3.
What are the key properties of 2-methyl-8-[5-(4-methylphenyl)pyridine-3-carbonyl]-2,8-diazaspiro[4.5]decan-1-one?
2-methyl-8-[5-(4-methylphenyl)pyridine-3-carbonyl]-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 363.46 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-8-[5-(4-methylphenyl)pyridine-3-carbonyl]-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 139012982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).