N-(3-chlorophenyl)-N,1-dimethyl-4-oxoazetidine-2-carboxamide;N-(1-cyclohexyl-2,2,2-trifluoroethyl)formamide;4-methylpyridin-2-amine

C27H35ClF3N5O3 — CID 142386690

About N-(3-chlorophenyl)-N,1-dimethyl-4-oxoazetidine-2-carboxamide;N-(1-cyclohexyl-2,2,2-trifluoroethyl)formamide;4-methylpyridin-2-amine

N-(3-chlorophenyl)-N,1-dimethyl-4-oxoazetidine-2-carboxamide;N-(1-cyclohexyl-2,2,2-trifluoroethyl)formamide;4-methylpyridin-2-amine (PubChem CID 142386690) has the molecular formula C27H35ClF3N5O3 and a molecular weight of 570.06 g/mol. Its IUPAC name is N-(3-chlorophenyl)-N,1-dimethyl-4-oxoazetidine-2-carboxamide;N-(1-cyclohexyl-2,2,2-trifluoroethyl)formamide;4-methylpyridin-2-amine.

Molecular Properties

• Compound Name: N-(3-chlorophenyl)-N,1-dimethyl-4-oxoazetidine-2-carboxamide;N-(1-cyclohexyl-2,2,2-trifluoroethyl)formamide;4-methylpyridin-2-amine
• PubChem CID: 142386690
• Molecular Formula: C27H35ClF3N5O3
• Molecular Weight: 570.06 g/mol
• Exact Mass: 569.24
• IUPAC Name: N-(3-chlorophenyl)-N,1-dimethyl-4-oxoazetidine-2-carboxamide;N-(1-cyclohexyl-2,2,2-trifluoroethyl)formamide;4-methylpyridin-2-amine
• SMILES: CN(C(=O)C1CC(=O)N1C)c1cccc(Cl)c1.Cc1ccnc(N)c1.O=CNC(C1CCCCC1)C(F)(F)F
• InChI: InChI=1S/C12H13ClN2O2.C9H14F3NO.C6H8N2/c1-14(9-5-3-4-8(13)6-9)12(17)10-7-11(16)15(10)2;10-9(11,12)8(13-6-14)7-4-2-1-3-5-7;1-5-2-3-8-6(7)4-5/h3-6,10H,7H2,1-2H3;6-8H,1-5H2,(H,13,14);2-4H,1H3,(H2,7,8)
• InChIKey: IRYGANMRLPMPKP-UHFFFAOYSA-N
• XLogP: 4.75
• TPSA: 108.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	570.06
LogP ≤ 5	4.75
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-N,1-dimethyl-4-oxoazetidine-2-carboxamide;N-(1-cyclohexyl-2,2,2-trifluoroethyl)formamide;4-methylpyridin-2-amine?

The IUPAC name of N-(3-chlorophenyl)-N,1-dimethyl-4-oxoazetidine-2-carboxamide;N-(1-cyclohexyl-2,2,2-trifluoroethyl)formamide;4-methylpyridin-2-amine (CID 142386690) is N-(3-chlorophenyl)-N,1-dimethyl-4-oxoazetidine-2-carboxamide;N-(1-cyclohexyl-2,2,2-trifluoroethyl)formamide;4-methylpyridin-2-amine.

What is the SMILES notation for N-(3-chlorophenyl)-N,1-dimethyl-4-oxoazetidine-2-carboxamide;N-(1-cyclohexyl-2,2,2-trifluoroethyl)formamide;4-methylpyridin-2-amine?

The canonical SMILES for N-(3-chlorophenyl)-N,1-dimethyl-4-oxoazetidine-2-carboxamide;N-(1-cyclohexyl-2,2,2-trifluoroethyl)formamide;4-methylpyridin-2-amine is CN(C(=O)C1CC(=O)N1C)c1cccc(Cl)c1.Cc1ccnc(N)c1.O=CNC(C1CCCCC1)C(F)(F)F.

What is the InChIKey of N-(3-chlorophenyl)-N,1-dimethyl-4-oxoazetidine-2-carboxamide;N-(1-cyclohexyl-2,2,2-trifluoroethyl)formamide;4-methylpyridin-2-amine?

The InChIKey is IRYGANMRLPMPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2.C9H14F3NO.C6H8N2/c1-14(9-5-3-4-8(13)6-9)12(17)10-7-11(16)15(10)2;10-9(11,12)8(13-6-14)7-4-2-1-3-5-7;1-5-2-3-8-6(7)4-5/h3-6,10H,7H2,1-2H3;6-8H,1-5H2,(H,13,14);2-4H,1H3,(H2,7,8).

What are the key properties of N-(3-chlorophenyl)-N,1-dimethyl-4-oxoazetidine-2-carboxamide;N-(1-cyclohexyl-2,2,2-trifluoroethyl)formamide;4-methylpyridin-2-amine?

N-(3-chlorophenyl)-N,1-dimethyl-4-oxoazetidine-2-carboxamide;N-(1-cyclohexyl-2,2,2-trifluoroethyl)formamide;4-methylpyridin-2-amine has a molecular weight of 570.06 g/mol, XLogP of 4.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-chlorophenyl)-N,1-dimethyl-4-oxoazetidine-2-carboxamide;N-(1-cyclohexyl-2,2,2-trifluoroethyl)formamide;4-methylpyridin-2-amine is sourced from PubChem (CID 142386690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).