2-(4-chlorobenzoyl)-6-methyl-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one

C20H21ClN4O2 — CID 131641884

IUPAC2-(4-chlorobenzoyl)-6-methyl-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one
SMILESCN1CC(=O)N(c2cccnc2)CC12CCN(C(=O)c1ccc(Cl)cc1)C2
InChIInChI=1S/C20H21ClN4O2/c1-23-12-18(26)25(17-3-2-9-22-11-17)14-20(23)8-10-24(13-20)19(27)15-4-6-16(21)7-5-15/h2-7,9,11H,8,10,12-14H2,1H3
InChIKeyKTVDHKYDEKPGCW-UHFFFAOYSA-N
MW384.87 g/mol
LogP2.30
Rot. Bonds2

About 2-(4-chlorobenzoyl)-6-methyl-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one

2-(4-chlorobenzoyl)-6-methyl-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one (PubChem CID 131641884) has the molecular formula C20H21ClN4O2 and a molecular weight of 384.87 g/mol. Its IUPAC name is 2-(4-chlorobenzoyl)-6-methyl-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one.

Molecular Properties

Compound Name2-(4-chlorobenzoyl)-6-methyl-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one
PubChem CID131641884
Molecular FormulaC20H21ClN4O2
Molecular Weight384.87 g/mol
Exact Mass384.14
IUPAC Name2-(4-chlorobenzoyl)-6-methyl-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one
SMILESCN1CC(=O)N(c2cccnc2)CC12CCN(C(=O)c1ccc(Cl)cc1)C2
InChIInChI=1S/C20H21ClN4O2/c1-23-12-18(26)25(17-3-2-9-22-11-17)14-20(23)8-10-24(13-20)19(27)15-4-6-16(21)7-5-15/h2-7,9,11H,8,10,12-14H2,1H3
InChIKeyKTVDHKYDEKPGCW-UHFFFAOYSA-N
XLogP2.30
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.87
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4-chlorobenzoyl)-6-methyl-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one with MolForge

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Related Compounds

6-methyl-2-(pyridine-4-carbonyl)-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one
CID 134070557
2-(3-chlorobenzoyl)-6-methyl-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one
CID 131658107
(5S)-6-methyl-9-pyridin-3-yl-2-(quinoline-6-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one
CID 97373597
2-(2,2-dimethylpropanoyl)-6-methyl-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one
CID 155875816
6-methyl-2-(5-methylpyrazine-2-carbonyl)-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one
CID 131658532
2-(3,5-dimethylbenzoyl)-6-methyl-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one;2,2,2-trifluoroacetic acid
CID 171687921
2-(3,5-dimethylbenzoyl)-6-methyl-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one;bis(2,2,2-trifluoroacetic acid)
CID 155862762
2-benzoyl-6-methyl-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one
CID 131638275
6-methyl-9-pyridin-3-yl-2-pyrimidin-2-yl-2,6,9-triazaspiro[4.5]decan-8-one
CID 155876866
6-methyl-9-phenyl-2-(quinoline-3-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one
CID 131641720
(5R)-9-(3-fluorophenyl)-6-methyl-2-(naphthalene-2-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one
CID 97373560
6-methyl-9-(1-methylpyrazol-4-yl)-2-(pyrazine-2-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one
CID 131642956

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorobenzoyl)-6-methyl-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one?
The IUPAC name of 2-(4-chlorobenzoyl)-6-methyl-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one (CID 131641884) is 2-(4-chlorobenzoyl)-6-methyl-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one.
What is the SMILES notation for 2-(4-chlorobenzoyl)-6-methyl-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one?
The canonical SMILES for 2-(4-chlorobenzoyl)-6-methyl-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one is CN1CC(=O)N(c2cccnc2)CC12CCN(C(=O)c1ccc(Cl)cc1)C2.
What is the InChIKey of 2-(4-chlorobenzoyl)-6-methyl-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one?
The InChIKey is KTVDHKYDEKPGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O2/c1-23-12-18(26)25(17-3-2-9-22-11-17)14-20(23)8-10-24(13-20)19(27)15-4-6-16(21)7-5-15/h2-7,9,11H,8,10,12-14H2,1H3.
What are the key properties of 2-(4-chlorobenzoyl)-6-methyl-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one?
2-(4-chlorobenzoyl)-6-methyl-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one has a molecular weight of 384.87 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorobenzoyl)-6-methyl-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one is sourced from PubChem (CID 131641884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).