N-(3-cyano-4-methoxyphenyl)-2-(dimethylamino)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide

C18H22N6O3 — CID 72940231

IUPACN-(3-cyano-4-methoxyphenyl)-2-(dimethylamino)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide
SMILESCOc1ccc(NC(=O)N2CCC3(CC2)N=C(N(C)C)NC3=O)cc1C#N
InChIInChI=1S/C18H22N6O3/c1-23(2)16-21-15(25)18(22-16)6-8-24(9-7-18)17(26)20-13-4-5-14(27-3)12(10-13)11-19/h4-5,10H,6-9H2,1-3H3,(H,20,26)(H,21,22,25)
InChIKeyCPTQZYDRCSFICH-UHFFFAOYSA-N
MW370.41 g/mol
LogP0.98
Rot. Bonds2

About N-(3-cyano-4-methoxyphenyl)-2-(dimethylamino)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide

N-(3-cyano-4-methoxyphenyl)-2-(dimethylamino)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide (PubChem CID 72940231) has the molecular formula C18H22N6O3 and a molecular weight of 370.41 g/mol. Its IUPAC name is N-(3-cyano-4-methoxyphenyl)-2-(dimethylamino)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide.

Molecular Properties

Compound NameN-(3-cyano-4-methoxyphenyl)-2-(dimethylamino)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide
PubChem CID72940231
Molecular FormulaC18H22N6O3
Molecular Weight370.41 g/mol
Exact Mass370.18
IUPAC NameN-(3-cyano-4-methoxyphenyl)-2-(dimethylamino)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide
SMILESCOc1ccc(NC(=O)N2CCC3(CC2)N=C(N(C)C)NC3=O)cc1C#N
InChIInChI=1S/C18H22N6O3/c1-23(2)16-21-15(25)18(22-16)6-8-24(9-7-18)17(26)20-13-4-5-14(27-3)12(10-13)11-19/h4-5,10H,6-9H2,1-3H3,(H,20,26)(H,21,22,25)
InChIKeyCPTQZYDRCSFICH-UHFFFAOYSA-N
XLogP0.98
TPSA110.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4-methoxyphenyl)-2-(dimethylamino)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide?
The IUPAC name of N-(3-cyano-4-methoxyphenyl)-2-(dimethylamino)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide (CID 72940231) is N-(3-cyano-4-methoxyphenyl)-2-(dimethylamino)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide.
What is the SMILES notation for N-(3-cyano-4-methoxyphenyl)-2-(dimethylamino)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide?
The canonical SMILES for N-(3-cyano-4-methoxyphenyl)-2-(dimethylamino)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide is COc1ccc(NC(=O)N2CCC3(CC2)N=C(N(C)C)NC3=O)cc1C#N.
What is the InChIKey of N-(3-cyano-4-methoxyphenyl)-2-(dimethylamino)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide?
The InChIKey is CPTQZYDRCSFICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O3/c1-23(2)16-21-15(25)18(22-16)6-8-24(9-7-18)17(26)20-13-4-5-14(27-3)12(10-13)11-19/h4-5,10H,6-9H2,1-3H3,(H,20,26)(H,21,22,25).
What are the key properties of N-(3-cyano-4-methoxyphenyl)-2-(dimethylamino)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide?
N-(3-cyano-4-methoxyphenyl)-2-(dimethylamino)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide has a molecular weight of 370.41 g/mol, XLogP of 0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4-methoxyphenyl)-2-(dimethylamino)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide is sourced from PubChem (CID 72940231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).