N-[[6-(aminomethyl)-3-pyridinyl]methyl]-N-cyclohexyl-2,2,2-trifluoroacetamide;2-chloro-5-(2-cyclohexylethyl)pyridine;(6-chloro-3-pyridinyl)methanamine;N-[(6-chloro-3-pyridinyl)methyl]-N-cyclohexyl-2,2,2-trifluoroacetamide;N-[(6-cyano-3-pyridinyl)methyl]-N-cyclohexyl-2,2,2-trifluoroacetamide

C63H77Cl3F9N11O3 — CID 161267424

About N-[[6-(aminomethyl)-3-pyridinyl]methyl]-N-cyclohexyl-2,2,2-trifluoroacetamide;2-chloro-5-(2-cyclohexylethyl)pyridine;(6-chloro-3-pyridinyl)methanamine;N-[(6-chloro-3-pyridinyl)methyl]-N-cyclohexyl-2,2,2-trifluoroacetamide;N-[(6-cyano-3-pyridinyl)methyl]-N-cyclohexyl-2,2,2-trifluoroacetamide

N-[[6-(aminomethyl)-3-pyridinyl]methyl]-N-cyclohexyl-2,2,2-trifluoroacetamide;2-chloro-5-(2-cyclohexylethyl)pyridine;(6-chloro-3-pyridinyl)methanamine;N-[(6-chloro-3-pyridinyl)methyl]-N-cyclohexyl-2,2,2-trifluoroacetamide;N-[(6-cyano-3-pyridinyl)methyl]-N-cyclohexyl-2,2,2-trifluoroacetamide (PubChem CID 161267424) has the molecular formula C63H77Cl3F9N11O3 and a molecular weight of 1313.72 g/mol. Its IUPAC name is N-[[6-(aminomethyl)-3-pyridinyl]methyl]-N-cyclohexyl-2,2,2-trifluoroacetamide;2-chloro-5-(2-cyclohexylethyl)pyridine;(6-chloro-3-pyridinyl)methanamine;N-[(6-chloro-3-pyridinyl)methyl]-N-cyclohexyl-2,2,2-trifluoroacetamide;N-[(6-cyano-3-pyridinyl)methyl]-N-cyclohexyl-2,2,2-trifluoroacetamide.

Molecular Properties

• Compound Name: N-[[6-(aminomethyl)-3-pyridinyl]methyl]-N-cyclohexyl-2,2,2-trifluoroacetamide;2-chloro-5-(2-cyclohexylethyl)pyridine;(6-chloro-3-pyridinyl)methanamine;N-[(6-chloro-3-pyridinyl)methyl]-N-cyclohexyl-2,2,2-trifluoroacetamide;N-[(6-cyano-3-pyridinyl)methyl]-N-cyclohexyl-2,2,2-trifluoroacetamide
• PubChem CID: 161267424
• Molecular Formula: C63H77Cl3F9N11O3
• Molecular Weight: 1313.72 g/mol
• Exact Mass: 1311.51
• IUPAC Name: N-[[6-(aminomethyl)-3-pyridinyl]methyl]-N-cyclohexyl-2,2,2-trifluoroacetamide;2-chloro-5-(2-cyclohexylethyl)pyridine;(6-chloro-3-pyridinyl)methanamine;N-[(6-chloro-3-pyridinyl)methyl]-N-cyclohexyl-2,2,2-trifluoroacetamide;N-[(6-cyano-3-pyridinyl)methyl]-N-cyclohexyl-2,2,2-trifluoroacetamide
• SMILES: Clc1ccc(CCC2CCCCC2)cn1.N#Cc1ccc(CN(C(=O)C(F)(F)F)C2CCCCC2)cn1.NCc1ccc(CN(C(=O)C(F)(F)F)C2CCCCC2)cn1.NCc1ccc(Cl)nc1.O=C(N(Cc1ccc(Cl)nc1)C1CCCCC1)C(F)(F)F
• InChI: InChI=1S/C15H20F3N3O.C15H16F3N3O.C14H16ClF3N2O.C13H18ClN.C6H7ClN2/c2*16-15(17,18)14(22)21(13-4-2-1-3-5-13)10-11-6-7-12(8-19)20-9-11;15-12-7-6-10(8-19-12)9-20(13(21)14(16,17)18)11-4-2-1-3-5-11;14-13-9-8-12(10-15-13)7-6-11-4-2-1-3-5-11;7-6-2-1-5(3-8)4-9-6/h6-7,9,13H,1-5,8,10,19H2;6-7,9,13H,1-5,10H2;6-8,11H,1-5,9H2;8-11H,1-7H2;1-2,4H,3,8H2
• InChIKey: VDJIKJPGLFJOPI-UHFFFAOYSA-N
• XLogP: 15.34
• TPSA: 201.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 14
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1313.72
LogP ≤ 5	15.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[6-(aminomethyl)-3-pyridinyl]methyl]-N-cyclohexyl-2,2,2-trifluoroacetamide;2-chloro-5-(2-cyclohexylethyl)pyridine;(6-chloro-3-pyridinyl)methanamine;N-[(6-chloro-3-pyridinyl)methyl]-N-cyclohexyl-2,2,2-trifluoroacetamide;N-[(6-cyano-3-pyridinyl)methyl]-N-cyclohexyl-2,2,2-trifluoroacetamide?

The IUPAC name of N-[[6-(aminomethyl)-3-pyridinyl]methyl]-N-cyclohexyl-2,2,2-trifluoroacetamide;2-chloro-5-(2-cyclohexylethyl)pyridine;(6-chloro-3-pyridinyl)methanamine;N-[(6-chloro-3-pyridinyl)methyl]-N-cyclohexyl-2,2,2-trifluoroacetamide;N-[(6-cyano-3-pyridinyl)methyl]-N-cyclohexyl-2,2,2-trifluoroacetamide (CID 161267424) is N-[[6-(aminomethyl)-3-pyridinyl]methyl]-N-cyclohexyl-2,2,2-trifluoroacetamide;2-chloro-5-(2-cyclohexylethyl)pyridine;(6-chloro-3-pyridinyl)methanamine;N-[(6-chloro-3-pyridinyl)methyl]-N-cyclohexyl-2,2,2-trifluoroacetamide;N-[(6-cyano-3-pyridinyl)methyl]-N-cyclohexyl-2,2,2-trifluoroacetamide.

What is the SMILES notation for N-[[6-(aminomethyl)-3-pyridinyl]methyl]-N-cyclohexyl-2,2,2-trifluoroacetamide;2-chloro-5-(2-cyclohexylethyl)pyridine;(6-chloro-3-pyridinyl)methanamine;N-[(6-chloro-3-pyridinyl)methyl]-N-cyclohexyl-2,2,2-trifluoroacetamide;N-[(6-cyano-3-pyridinyl)methyl]-N-cyclohexyl-2,2,2-trifluoroacetamide?

The canonical SMILES for N-[[6-(aminomethyl)-3-pyridinyl]methyl]-N-cyclohexyl-2,2,2-trifluoroacetamide;2-chloro-5-(2-cyclohexylethyl)pyridine;(6-chloro-3-pyridinyl)methanamine;N-[(6-chloro-3-pyridinyl)methyl]-N-cyclohexyl-2,2,2-trifluoroacetamide;N-[(6-cyano-3-pyridinyl)methyl]-N-cyclohexyl-2,2,2-trifluoroacetamide is Clc1ccc(CCC2CCCCC2)cn1.N#Cc1ccc(CN(C(=O)C(F)(F)F)C2CCCCC2)cn1.NCc1ccc(CN(C(=O)C(F)(F)F)C2CCCCC2)cn1.NCc1ccc(Cl)nc1.O=C(N(Cc1ccc(Cl)nc1)C1CCCCC1)C(F)(F)F.

What is the InChIKey of N-[[6-(aminomethyl)-3-pyridinyl]methyl]-N-cyclohexyl-2,2,2-trifluoroacetamide;2-chloro-5-(2-cyclohexylethyl)pyridine;(6-chloro-3-pyridinyl)methanamine;N-[(6-chloro-3-pyridinyl)methyl]-N-cyclohexyl-2,2,2-trifluoroacetamide;N-[(6-cyano-3-pyridinyl)methyl]-N-cyclohexyl-2,2,2-trifluoroacetamide?

The InChIKey is VDJIKJPGLFJOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3O.C15H16F3N3O.C14H16ClF3N2O.C13H18ClN.C6H7ClN2/c2*16-15(17,18)14(22)21(13-4-2-1-3-5-13)10-11-6-7-12(8-19)20-9-11;15-12-7-6-10(8-19-12)9-20(13(21)14(16,17)18)11-4-2-1-3-5-11;14-13-9-8-12(10-15-13)7-6-11-4-2-1-3-5-11;7-6-2-1-5(3-8)4-9-6/h6-7,9,13H,1-5,8,10,19H2;6-7,9,13H,1-5,10H2;6-8,11H,1-5,9H2;8-11H,1-7H2;1-2,4H,3,8H2.

What are the key properties of N-[[6-(aminomethyl)-3-pyridinyl]methyl]-N-cyclohexyl-2,2,2-trifluoroacetamide;2-chloro-5-(2-cyclohexylethyl)pyridine;(6-chloro-3-pyridinyl)methanamine;N-[(6-chloro-3-pyridinyl)methyl]-N-cyclohexyl-2,2,2-trifluoroacetamide;N-[(6-cyano-3-pyridinyl)methyl]-N-cyclohexyl-2,2,2-trifluoroacetamide?

N-[[6-(aminomethyl)-3-pyridinyl]methyl]-N-cyclohexyl-2,2,2-trifluoroacetamide;2-chloro-5-(2-cyclohexylethyl)pyridine;(6-chloro-3-pyridinyl)methanamine;N-[(6-chloro-3-pyridinyl)methyl]-N-cyclohexyl-2,2,2-trifluoroacetamide;N-[(6-cyano-3-pyridinyl)methyl]-N-cyclohexyl-2,2,2-trifluoroacetamide has a molecular weight of 1313.72 g/mol, XLogP of 15.34, 14 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[6-(aminomethyl)-3-pyridinyl]methyl]-N-cyclohexyl-2,2,2-trifluoroacetamide;2-chloro-5-(2-cyclohexylethyl)pyridine;(6-chloro-3-pyridinyl)methanamine;N-[(6-chloro-3-pyridinyl)methyl]-N-cyclohexyl-2,2,2-trifluoroacetamide;N-[(6-cyano-3-pyridinyl)methyl]-N-cyclohexyl-2,2,2-trifluoroacetamide is sourced from PubChem (CID 161267424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).