N-[2-(8-azaspiro[4.5]decan-8-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-3-cyano-1H-1,2,4-triazole-5-carboxamide

C25H32N8O2 — CID 24784640

IUPACN-[2-(8-azaspiro[4.5]decan-8-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-3-cyano-1H-1,2,4-triazole-5-carboxamide
SMILESCN1CC(c2ccc(NC(=O)c3nc(C#N)n[nH]3)c(N3CCC4(CCCC4)CC3)c2)CN(C)C1=O
InChIInChI=1S/C25H32N8O2/c1-31-15-18(16-32(2)24(31)35)17-5-6-19(27-23(34)22-28-21(14-26)29-30-22)20(13-17)33-11-9-25(10-12-33)7-3-4-8-25/h5-6,13,18H,3-4,7-12,15-16H2,1-2H3,(H,27,34)(H,28,29,30)
InChIKeyLWUKEIVCSFZDDW-UHFFFAOYSA-N
MW476.59 g/mol
LogP3.17
Rot. Bonds4

About N-[2-(8-azaspiro[4.5]decan-8-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-3-cyano-1H-1,2,4-triazole-5-carboxamide

N-[2-(8-azaspiro[4.5]decan-8-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-3-cyano-1H-1,2,4-triazole-5-carboxamide (PubChem CID 24784640) has the molecular formula C25H32N8O2 and a molecular weight of 476.59 g/mol. Its IUPAC name is N-[2-(8-azaspiro[4.5]decan-8-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-3-cyano-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(8-azaspiro[4.5]decan-8-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-3-cyano-1H-1,2,4-triazole-5-carboxamide
PubChem CID24784640
Molecular FormulaC25H32N8O2
Molecular Weight476.59 g/mol
Exact Mass476.26
IUPAC NameN-[2-(8-azaspiro[4.5]decan-8-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-3-cyano-1H-1,2,4-triazole-5-carboxamide
SMILESCN1CC(c2ccc(NC(=O)c3nc(C#N)n[nH]3)c(N3CCC4(CCCC4)CC3)c2)CN(C)C1=O
InChIInChI=1S/C25H32N8O2/c1-31-15-18(16-32(2)24(31)35)17-5-6-19(27-23(34)22-28-21(14-26)29-30-22)20(13-17)33-11-9-25(10-12-33)7-3-4-8-25/h5-6,13,18H,3-4,7-12,15-16H2,1-2H3,(H,27,34)(H,28,29,30)
InChIKeyLWUKEIVCSFZDDW-UHFFFAOYSA-N
XLogP3.17
TPSA121.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.59
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-(8-azaspiro[4.5]decan-8-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-3-cyano-1H-1,2,4-triazole-5-carboxamide with MolForge

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Related Compounds

2-cyano-N-[4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)-2-(4-methylidenepiperidin-1-yl)phenyl]-2,3-dihydrofuran-5-carboxamide
CID 89250927
N-[2-(8-azaspiro[4.5]decan-8-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-5-isocyano-1H-1,2,4-triazole-3-carboxamide;N-[4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)-2-(4,4-dimethylpiperidin-1-yl)phenyl]-5-isocyanofuran-2-carboxamide;N-[4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)-2-(4,4-dimethylpiperidin-1-yl)phenyl]-4-isocyano-1H-pyrrole-2-carboxamide;N-[6-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)-2-(4,4-dimethylpiperidin-1-yl)-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide
CID 123754331
N-[4-(2,6-dimethyl-1,1-dioxo-1,2,6-thiadiazinan-4-yl)-2-[4-(2-hydroxyethyl)piperidin-1-yl]phenyl]-5-hydroxy-1H-imidazole-2-carboxamide
CID 135581968
5-cyano-N-[4-(2,6-dimethyl-1,1-dioxo-1,2,6-thiadiazinan-4-yl)-2-spiro[4.5]dec-8-en-8-ylphenyl]-1H-imidazole-2-carboxamide
CID 24785129
5-cyano-N-[2-(4-methylpiperidin-1-yl)-4-(4-morpholin-4-ylcyclohexyl)phenyl]-1H-imidazole-2-carboxamide
CID 24827149
N-[4-(2,6-dimethyl-1,1-dioxo-1,2,6-thiadiazinan-4-yl)-2-(4,4-dimethylpiperidin-1-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[4-(2,6-dimethyl-1,1-dioxo-1,2,6-thiadiazinan-4-yl)-2-(4-propylpiperidin-1-yl)phenyl]-5-hydroxy-1H-imidazole-2-carboxamide;N-[4-(2,6-dioxopiperidin-4-yl)-2-(4-methylpiperidin-1-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[4-(2,6-dioxopiperidin-4-yl)-2-piperidin-1-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide
CID 158417677
4-cyano-N-[2-(cyclohepten-1-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-1-sulfanylimidazole-2-carboxamide
CID 71073253
5-cyano-N-[2-(cyclohepten-1-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2,6-dioxopiperidin-4-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide
CID 159331472
2-[2-[6-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)-2-(4,4-dimethylpiperidin-1-yl)-3-pyridinyl]acetyl]-1H-imidazole-5-carbonitrile
CID 58387007
4-(3-azaspiro[5.5]undecan-3-yl)-3-chlorobenzonitrile
CID 63510167
5-cyano-N-[2-(4-methylpiperidin-1-yl)-4-(4-morpholin-4-ylcyclohexyl)phenyl]-4,5-dihydro-1H-imidazole-2-carboxamide
CID 71164560
5-cyano-N-[2-(cyclohexen-1-yl)-4-(2,6-dioxopiperidin-4-yl)phenyl]-1H-imidazole-2-carboxamide
CID 24785380

Frequently Asked Questions

What is the IUPAC name of N-[2-(8-azaspiro[4.5]decan-8-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-3-cyano-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of N-[2-(8-azaspiro[4.5]decan-8-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-3-cyano-1H-1,2,4-triazole-5-carboxamide (CID 24784640) is N-[2-(8-azaspiro[4.5]decan-8-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-3-cyano-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for N-[2-(8-azaspiro[4.5]decan-8-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-3-cyano-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for N-[2-(8-azaspiro[4.5]decan-8-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-3-cyano-1H-1,2,4-triazole-5-carboxamide is CN1CC(c2ccc(NC(=O)c3nc(C#N)n[nH]3)c(N3CCC4(CCCC4)CC3)c2)CN(C)C1=O.
What is the InChIKey of N-[2-(8-azaspiro[4.5]decan-8-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-3-cyano-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is LWUKEIVCSFZDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N8O2/c1-31-15-18(16-32(2)24(31)35)17-5-6-19(27-23(34)22-28-21(14-26)29-30-22)20(13-17)33-11-9-25(10-12-33)7-3-4-8-25/h5-6,13,18H,3-4,7-12,15-16H2,1-2H3,(H,27,34)(H,28,29,30).
What are the key properties of N-[2-(8-azaspiro[4.5]decan-8-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-3-cyano-1H-1,2,4-triazole-5-carboxamide?
N-[2-(8-azaspiro[4.5]decan-8-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-3-cyano-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 476.59 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(8-azaspiro[4.5]decan-8-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-3-cyano-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 24784640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).