N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-4-methyl-1,2,4-triazole-3-carboxamide;ethyl 5-[(3-chloroquinolin-6-yl)methyl]-2-methyl-1,2,4-triazole-3-carboxylate;ethyl 5-[(3-chloroquinolin-6-yl)methyl]-4-methyl-1,2,4-triazole-3-carboxylate;ethyl 5-[(3-chloroquinolin-6-yl)methyl]-4H-pyrazole-3-carboxylate;iodomethane

C71H69Cl4IN18O7 — CID 158440431

About N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-4-methyl-1,2,4-triazole-3-carboxamide;ethyl 5-[(3-chloroquinolin-6-yl)methyl]-2-methyl-1,2,4-triazole-3-carboxylate;ethyl 5-[(3-chloroquinolin-6-yl)methyl]-4-methyl-1,2,4-triazole-3-carboxylate;ethyl 5-[(3-chloroquinolin-6-yl)methyl]-4H-pyrazole-3-carboxylate;iodomethane

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-4-methyl-1,2,4-triazole-3-carboxamide;ethyl 5-[(3-chloroquinolin-6-yl)methyl]-2-methyl-1,2,4-triazole-3-carboxylate;ethyl 5-[(3-chloroquinolin-6-yl)methyl]-4-methyl-1,2,4-triazole-3-carboxylate;ethyl 5-[(3-chloroquinolin-6-yl)methyl]-4H-pyrazole-3-carboxylate;iodomethane (PubChem CID 158440431) has the molecular formula C71H69Cl4IN18O7 and a molecular weight of 1555.17 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-4-methyl-1,2,4-triazole-3-carboxamide;ethyl 5-[(3-chloroquinolin-6-yl)methyl]-2-methyl-1,2,4-triazole-3-carboxylate;ethyl 5-[(3-chloroquinolin-6-yl)methyl]-4-methyl-1,2,4-triazole-3-carboxylate;ethyl 5-[(3-chloroquinolin-6-yl)methyl]-4H-pyrazole-3-carboxylate;iodomethane.

Molecular Properties

• Compound Name: N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-4-methyl-1,2,4-triazole-3-carboxamide;ethyl 5-[(3-chloroquinolin-6-yl)methyl]-2-methyl-1,2,4-triazole-3-carboxylate;ethyl 5-[(3-chloroquinolin-6-yl)methyl]-4-methyl-1,2,4-triazole-3-carboxylate;ethyl 5-[(3-chloroquinolin-6-yl)methyl]-4H-pyrazole-3-carboxylate;iodomethane
• PubChem CID: 158440431
• Molecular Formula: C71H69Cl4IN18O7
• Molecular Weight: 1555.17 g/mol
• Exact Mass: 1552.34
• IUPAC Name: N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-4-methyl-1,2,4-triazole-3-carboxamide;ethyl 5-[(3-chloroquinolin-6-yl)methyl]-2-methyl-1,2,4-triazole-3-carboxylate;ethyl 5-[(3-chloroquinolin-6-yl)methyl]-4-methyl-1,2,4-triazole-3-carboxylate;ethyl 5-[(3-chloroquinolin-6-yl)methyl]-4H-pyrazole-3-carboxylate;iodomethane
• SMILES: CCOC(=O)C1=NN=C(Cc2ccc3ncc(Cl)cc3c2)C1.CCOC(=O)c1nc(Cc2ccc3ncc(Cl)cc3c2)nn1C.CCOC(=O)c1nnc(Cc2ccc3ncc(Cl)cc3c2)n1C.CI.Cc1cc(N)nc(C)c1CNC(=O)c1nnc(Cc2ccc3ncc(Cl)cc3c2)n1C
• InChI: InChI=1S/C22H22ClN7O.2C16H15ClN4O2.C16H14ClN3O2.CH3I/c1-12-6-19(24)27-13(2)17(12)11-26-22(31)21-29-28-20(30(21)3)8-14-4-5-18-15(7-14)9-16(23)10-25-18;1-3-23-16(22)15-20-19-14(21(15)2)7-10-4-5-13-11(6-10)8-12(17)9-18-13;1-3-23-16(22)15-19-14(20-21(15)2)7-10-4-5-13-11(6-10)8-12(17)9-18-13;1-2-22-16(21)15-8-13(19-20-15)6-10-3-4-14-11(5-10)7-12(17)9-18-14;1-2/h4-7,9-10H,8,11H2,1-3H3,(H2,24,27)(H,26,31);2*4-6,8-9H,3,7H2,1-2H3;3-5,7,9H,2,6,8H2,1H3;1H3
• InChIKey: HCTCHYGHNJZLGA-UHFFFAOYSA-N
• XLogP: 12.95
• TPSA: 315.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 24
• Rotatable Bonds: 17
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1555.17
LogP ≤ 5	12.95
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-4-methyl-1,2,4-triazole-3-carboxamide;ethyl 5-[(3-chloroquinolin-6-yl)methyl]-2-methyl-1,2,4-triazole-3-carboxylate;ethyl 5-[(3-chloroquinolin-6-yl)methyl]-4-methyl-1,2,4-triazole-3-carboxylate;ethyl 5-[(3-chloroquinolin-6-yl)methyl]-4H-pyrazole-3-carboxylate;iodomethane?

The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-4-methyl-1,2,4-triazole-3-carboxamide;ethyl 5-[(3-chloroquinolin-6-yl)methyl]-2-methyl-1,2,4-triazole-3-carboxylate;ethyl 5-[(3-chloroquinolin-6-yl)methyl]-4-methyl-1,2,4-triazole-3-carboxylate;ethyl 5-[(3-chloroquinolin-6-yl)methyl]-4H-pyrazole-3-carboxylate;iodomethane (CID 158440431) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-4-methyl-1,2,4-triazole-3-carboxamide;ethyl 5-[(3-chloroquinolin-6-yl)methyl]-2-methyl-1,2,4-triazole-3-carboxylate;ethyl 5-[(3-chloroquinolin-6-yl)methyl]-4-methyl-1,2,4-triazole-3-carboxylate;ethyl 5-[(3-chloroquinolin-6-yl)methyl]-4H-pyrazole-3-carboxylate;iodomethane.

What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-4-methyl-1,2,4-triazole-3-carboxamide;ethyl 5-[(3-chloroquinolin-6-yl)methyl]-2-methyl-1,2,4-triazole-3-carboxylate;ethyl 5-[(3-chloroquinolin-6-yl)methyl]-4-methyl-1,2,4-triazole-3-carboxylate;ethyl 5-[(3-chloroquinolin-6-yl)methyl]-4H-pyrazole-3-carboxylate;iodomethane?

The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-4-methyl-1,2,4-triazole-3-carboxamide;ethyl 5-[(3-chloroquinolin-6-yl)methyl]-2-methyl-1,2,4-triazole-3-carboxylate;ethyl 5-[(3-chloroquinolin-6-yl)methyl]-4-methyl-1,2,4-triazole-3-carboxylate;ethyl 5-[(3-chloroquinolin-6-yl)methyl]-4H-pyrazole-3-carboxylate;iodomethane is CCOC(=O)C1=NN=C(Cc2ccc3ncc(Cl)cc3c2)C1.CCOC(=O)c1nc(Cc2ccc3ncc(Cl)cc3c2)nn1C.CCOC(=O)c1nnc(Cc2ccc3ncc(Cl)cc3c2)n1C.CI.Cc1cc(N)nc(C)c1CNC(=O)c1nnc(Cc2ccc3ncc(Cl)cc3c2)n1C.

What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-4-methyl-1,2,4-triazole-3-carboxamide;ethyl 5-[(3-chloroquinolin-6-yl)methyl]-2-methyl-1,2,4-triazole-3-carboxylate;ethyl 5-[(3-chloroquinolin-6-yl)methyl]-4-methyl-1,2,4-triazole-3-carboxylate;ethyl 5-[(3-chloroquinolin-6-yl)methyl]-4H-pyrazole-3-carboxylate;iodomethane?

The InChIKey is HCTCHYGHNJZLGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN7O.2C16H15ClN4O2.C16H14ClN3O2.CH3I/c1-12-6-19(24)27-13(2)17(12)11-26-22(31)21-29-28-20(30(21)3)8-14-4-5-18-15(7-14)9-16(23)10-25-18;1-3-23-16(22)15-20-19-14(21(15)2)7-10-4-5-13-11(6-10)8-12(17)9-18-13;1-3-23-16(22)15-19-14(20-21(15)2)7-10-4-5-13-11(6-10)8-12(17)9-18-13;1-2-22-16(21)15-8-13(19-20-15)6-10-3-4-14-11(5-10)7-12(17)9-18-14;1-2/h4-7,9-10H,8,11H2,1-3H3,(H2,24,27)(H,26,31);2*4-6,8-9H,3,7H2,1-2H3;3-5,7,9H,2,6,8H2,1H3;1H3.

What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-4-methyl-1,2,4-triazole-3-carboxamide;ethyl 5-[(3-chloroquinolin-6-yl)methyl]-2-methyl-1,2,4-triazole-3-carboxylate;ethyl 5-[(3-chloroquinolin-6-yl)methyl]-4-methyl-1,2,4-triazole-3-carboxylate;ethyl 5-[(3-chloroquinolin-6-yl)methyl]-4H-pyrazole-3-carboxylate;iodomethane?

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-4-methyl-1,2,4-triazole-3-carboxamide;ethyl 5-[(3-chloroquinolin-6-yl)methyl]-2-methyl-1,2,4-triazole-3-carboxylate;ethyl 5-[(3-chloroquinolin-6-yl)methyl]-4-methyl-1,2,4-triazole-3-carboxylate;ethyl 5-[(3-chloroquinolin-6-yl)methyl]-4H-pyrazole-3-carboxylate;iodomethane has a molecular weight of 1555.17 g/mol, XLogP of 12.95, 17 rotatable bonds, 2 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-4-methyl-1,2,4-triazole-3-carboxamide;ethyl 5-[(3-chloroquinolin-6-yl)methyl]-2-methyl-1,2,4-triazole-3-carboxylate;ethyl 5-[(3-chloroquinolin-6-yl)methyl]-4-methyl-1,2,4-triazole-3-carboxylate;ethyl 5-[(3-chloroquinolin-6-yl)methyl]-4H-pyrazole-3-carboxylate;iodomethane is sourced from PubChem (CID 158440431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).