N-(2-cyanophenyl)-3-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)azetidine-1-carboxamide

C24H26N6O2 — CID 24735773

IUPACN-(2-cyanophenyl)-3-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)azetidine-1-carboxamide
SMILESN#Cc1ccccc1NC(=O)N1CC(N2CCC3(CC2)C(=O)NCN3c2ccccc2)C1
InChIInChI=1S/C24H26N6O2/c25-14-18-6-4-5-9-21(18)27-23(32)29-15-20(16-29)28-12-10-24(11-13-28)22(31)26-17-30(24)19-7-2-1-3-8-19/h1-9,20H,10-13,15-17H2,(H,26,31)(H,27,32)
InChIKeySKNVJHXPEKKLSF-UHFFFAOYSA-N
MW430.51 g/mol
LogP2.20
Rot. Bonds3

About N-(2-cyanophenyl)-3-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)azetidine-1-carboxamide

N-(2-cyanophenyl)-3-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)azetidine-1-carboxamide (PubChem CID 24735773) has the molecular formula C24H26N6O2 and a molecular weight of 430.51 g/mol. Its IUPAC name is N-(2-cyanophenyl)-3-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)azetidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-3-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)azetidine-1-carboxamide
PubChem CID24735773
Molecular FormulaC24H26N6O2
Molecular Weight430.51 g/mol
Exact Mass430.21
IUPAC NameN-(2-cyanophenyl)-3-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)azetidine-1-carboxamide
SMILESN#Cc1ccccc1NC(=O)N1CC(N2CCC3(CC2)C(=O)NCN3c2ccccc2)C1
InChIInChI=1S/C24H26N6O2/c25-14-18-6-4-5-9-21(18)27-23(32)29-15-20(16-29)28-12-10-24(11-13-28)22(31)26-17-30(24)19-7-2-1-3-8-19/h1-9,20H,10-13,15-17H2,(H,26,31)(H,27,32)
InChIKeySKNVJHXPEKKLSF-UHFFFAOYSA-N
XLogP2.20
TPSA91.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

8-cyclododecyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 10000890
8-cyclohexyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 11781971
4-oxo-N-(2-phenoxyphenyl)-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide
CID 24735797
N-(2-chlorophenyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carbothioamide
CID 3745737
8-(5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 18782339
8-(4-ethylcyclohexyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride
CID 19347392
8-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 23377559
(Z)-4-oxo-4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)but-2-enoic acid
CID 45109158
8-(2,2-diphenylacetyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 141234209
8-(naphthalene-2-carbonyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 10156925
1-phenyl-8-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-1,3,8-triazaspiro[4.5]decan-4-one
CID 10137134
8-(1H-indole-5-carbonyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-3-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)azetidine-1-carboxamide?
The IUPAC name of N-(2-cyanophenyl)-3-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)azetidine-1-carboxamide (CID 24735773) is N-(2-cyanophenyl)-3-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)azetidine-1-carboxamide.
What is the SMILES notation for N-(2-cyanophenyl)-3-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)azetidine-1-carboxamide?
The canonical SMILES for N-(2-cyanophenyl)-3-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)azetidine-1-carboxamide is N#Cc1ccccc1NC(=O)N1CC(N2CCC3(CC2)C(=O)NCN3c2ccccc2)C1.
What is the InChIKey of N-(2-cyanophenyl)-3-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)azetidine-1-carboxamide?
The InChIKey is SKNVJHXPEKKLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O2/c25-14-18-6-4-5-9-21(18)27-23(32)29-15-20(16-29)28-12-10-24(11-13-28)22(31)26-17-30(24)19-7-2-1-3-8-19/h1-9,20H,10-13,15-17H2,(H,26,31)(H,27,32).
What are the key properties of N-(2-cyanophenyl)-3-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)azetidine-1-carboxamide?
N-(2-cyanophenyl)-3-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)azetidine-1-carboxamide has a molecular weight of 430.51 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-3-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)azetidine-1-carboxamide is sourced from PubChem (CID 24735773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).