5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)-3-pyridinyl]-4,5-dihydro-1H-imidazole-2-carboxamide

C24H31N7O2 — CID 71073203

IUPAC5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)-3-pyridinyl]-4,5-dihydro-1H-imidazole-2-carboxamide
SMILESCN1CC(c2ccc(NC(=O)C3=NCC(C#N)N3)c(C3=CCC(C)(C)CC3)n2)CN(C)C1=O
InChIInChI=1S/C24H31N7O2/c1-24(2)9-7-15(8-10-24)20-19(29-22(32)21-26-12-17(11-25)27-21)6-5-18(28-20)16-13-30(3)23(33)31(4)14-16/h5-7,16-17H,8-10,12-14H2,1-4H3,(H,26,27)(H,29,32)
InChIKeyCMDKLLVICBRNCH-UHFFFAOYSA-N
MW449.56 g/mol
LogP2.59
Rot. Bonds4

About 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)-3-pyridinyl]-4,5-dihydro-1H-imidazole-2-carboxamide

5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)-3-pyridinyl]-4,5-dihydro-1H-imidazole-2-carboxamide (PubChem CID 71073203) has the molecular formula C24H31N7O2 and a molecular weight of 449.56 g/mol. Its IUPAC name is 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)-3-pyridinyl]-4,5-dihydro-1H-imidazole-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)-3-pyridinyl]-4,5-dihydro-1H-imidazole-2-carboxamide
PubChem CID71073203
Molecular FormulaC24H31N7O2
Molecular Weight449.56 g/mol
Exact Mass449.25
IUPAC Name5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)-3-pyridinyl]-4,5-dihydro-1H-imidazole-2-carboxamide
SMILESCN1CC(c2ccc(NC(=O)C3=NCC(C#N)N3)c(C3=CCC(C)(C)CC3)n2)CN(C)C1=O
InChIInChI=1S/C24H31N7O2/c1-24(2)9-7-15(8-10-24)20-19(29-22(32)21-26-12-17(11-25)27-21)6-5-18(28-20)16-13-30(3)23(33)31(4)14-16/h5-7,16-17H,8-10,12-14H2,1-4H3,(H,26,27)(H,29,32)
InChIKeyCMDKLLVICBRNCH-UHFFFAOYSA-N
XLogP2.59
TPSA113.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.56
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)-3-pyridinyl]-4,5-dihydro-1H-imidazole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)-3-pyridinyl]-4,5-dihydro-1H-imidazole-2-carboxamide?
The IUPAC name of 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)-3-pyridinyl]-4,5-dihydro-1H-imidazole-2-carboxamide (CID 71073203) is 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)-3-pyridinyl]-4,5-dihydro-1H-imidazole-2-carboxamide.
What is the SMILES notation for 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)-3-pyridinyl]-4,5-dihydro-1H-imidazole-2-carboxamide?
The canonical SMILES for 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)-3-pyridinyl]-4,5-dihydro-1H-imidazole-2-carboxamide is CN1CC(c2ccc(NC(=O)C3=NCC(C#N)N3)c(C3=CCC(C)(C)CC3)n2)CN(C)C1=O.
What is the InChIKey of 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)-3-pyridinyl]-4,5-dihydro-1H-imidazole-2-carboxamide?
The InChIKey is CMDKLLVICBRNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N7O2/c1-24(2)9-7-15(8-10-24)20-19(29-22(32)21-26-12-17(11-25)27-21)6-5-18(28-20)16-13-30(3)23(33)31(4)14-16/h5-7,16-17H,8-10,12-14H2,1-4H3,(H,26,27)(H,29,32).
What are the key properties of 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)-3-pyridinyl]-4,5-dihydro-1H-imidazole-2-carboxamide?
5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)-3-pyridinyl]-4,5-dihydro-1H-imidazole-2-carboxamide has a molecular weight of 449.56 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)-3-pyridinyl]-4,5-dihydro-1H-imidazole-2-carboxamide is sourced from PubChem (CID 71073203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).