1-N-(1-cyclohexylpropyl)-2-N-(3,5-dichlorophenyl)-2-N-methyl-4-oxoazetidine-1,2-dicarboxamide;4-methylpyridin-2-amine

C27H35Cl2N5O3 — CID 142386662

About 1-N-(1-cyclohexylpropyl)-2-N-(3,5-dichlorophenyl)-2-N-methyl-4-oxoazetidine-1,2-dicarboxamide;4-methylpyridin-2-amine

1-N-(1-cyclohexylpropyl)-2-N-(3,5-dichlorophenyl)-2-N-methyl-4-oxoazetidine-1,2-dicarboxamide;4-methylpyridin-2-amine (PubChem CID 142386662) has the molecular formula C27H35Cl2N5O3 and a molecular weight of 548.52 g/mol. Its IUPAC name is 1-N-(1-cyclohexylpropyl)-2-N-(3,5-dichlorophenyl)-2-N-methyl-4-oxoazetidine-1,2-dicarboxamide;4-methylpyridin-2-amine.

Molecular Properties

• Compound Name: 1-N-(1-cyclohexylpropyl)-2-N-(3,5-dichlorophenyl)-2-N-methyl-4-oxoazetidine-1,2-dicarboxamide;4-methylpyridin-2-amine
• PubChem CID: 142386662
• Molecular Formula: C27H35Cl2N5O3
• Molecular Weight: 548.52 g/mol
• Exact Mass: 547.21
• IUPAC Name: 1-N-(1-cyclohexylpropyl)-2-N-(3,5-dichlorophenyl)-2-N-methyl-4-oxoazetidine-1,2-dicarboxamide;4-methylpyridin-2-amine
• SMILES: CCC(NC(=O)N1C(=O)CC1C(=O)N(C)c1cc(Cl)cc(Cl)c1)C1CCCCC1.Cc1ccnc(N)c1
• InChI: InChI=1S/C21H27Cl2N3O3.C6H8N2/c1-3-17(13-7-5-4-6-8-13)24-21(29)26-18(12-19(26)27)20(28)25(2)16-10-14(22)9-15(23)11-16;1-5-2-3-8-6(7)4-5/h9-11,13,17-18H,3-8,12H2,1-2H3,(H,24,29);2-4H,1H3,(H2,7,8)
• InChIKey: HPSRMUMCJIBBDN-UHFFFAOYSA-N
• XLogP: 5.60
• TPSA: 108.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	548.52
LogP ≤ 5	5.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-N-(1-cyclohexylpropyl)-2-N-(3,5-dichlorophenyl)-2-N-methyl-4-oxoazetidine-1,2-dicarboxamide;4-methylpyridin-2-amine?

The IUPAC name of 1-N-(1-cyclohexylpropyl)-2-N-(3,5-dichlorophenyl)-2-N-methyl-4-oxoazetidine-1,2-dicarboxamide;4-methylpyridin-2-amine (CID 142386662) is 1-N-(1-cyclohexylpropyl)-2-N-(3,5-dichlorophenyl)-2-N-methyl-4-oxoazetidine-1,2-dicarboxamide;4-methylpyridin-2-amine.

What is the SMILES notation for 1-N-(1-cyclohexylpropyl)-2-N-(3,5-dichlorophenyl)-2-N-methyl-4-oxoazetidine-1,2-dicarboxamide;4-methylpyridin-2-amine?

The canonical SMILES for 1-N-(1-cyclohexylpropyl)-2-N-(3,5-dichlorophenyl)-2-N-methyl-4-oxoazetidine-1,2-dicarboxamide;4-methylpyridin-2-amine is CCC(NC(=O)N1C(=O)CC1C(=O)N(C)c1cc(Cl)cc(Cl)c1)C1CCCCC1.Cc1ccnc(N)c1.

What is the InChIKey of 1-N-(1-cyclohexylpropyl)-2-N-(3,5-dichlorophenyl)-2-N-methyl-4-oxoazetidine-1,2-dicarboxamide;4-methylpyridin-2-amine?

The InChIKey is HPSRMUMCJIBBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27Cl2N3O3.C6H8N2/c1-3-17(13-7-5-4-6-8-13)24-21(29)26-18(12-19(26)27)20(28)25(2)16-10-14(22)9-15(23)11-16;1-5-2-3-8-6(7)4-5/h9-11,13,17-18H,3-8,12H2,1-2H3,(H,24,29);2-4H,1H3,(H2,7,8).

What are the key properties of 1-N-(1-cyclohexylpropyl)-2-N-(3,5-dichlorophenyl)-2-N-methyl-4-oxoazetidine-1,2-dicarboxamide;4-methylpyridin-2-amine?

1-N-(1-cyclohexylpropyl)-2-N-(3,5-dichlorophenyl)-2-N-methyl-4-oxoazetidine-1,2-dicarboxamide;4-methylpyridin-2-amine has a molecular weight of 548.52 g/mol, XLogP of 5.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-N-(1-cyclohexylpropyl)-2-N-(3,5-dichlorophenyl)-2-N-methyl-4-oxoazetidine-1,2-dicarboxamide;4-methylpyridin-2-amine is sourced from PubChem (CID 142386662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).