N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-bromo-1-[(3-chloroquinolin-6-yl)methyl]-1,2,4-triazole-3-carboxamide;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-methyl-1,2,4-triazole-3-carboxamide;carbon dioxide;methyl 5-[(6-amino-2,4-dimethyl-3-pyridinyl)methylcarbamoyl]-2-[(3-chloroquinolin-6-yl)methyl]-1,2,4-triazole-3-carboxylate

C67H63BrCl3N21O7 — CID 159230357

About N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-bromo-1-[(3-chloroquinolin-6-yl)methyl]-1,2,4-triazole-3-carboxamide;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-methyl-1,2,4-triazole-3-carboxamide;carbon dioxide;methyl 5-[(6-amino-2,4-dimethyl-3-pyridinyl)methylcarbamoyl]-2-[(3-chloroquinolin-6-yl)methyl]-1,2,4-triazole-3-carboxylate

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-bromo-1-[(3-chloroquinolin-6-yl)methyl]-1,2,4-triazole-3-carboxamide;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-methyl-1,2,4-triazole-3-carboxamide;carbon dioxide;methyl 5-[(6-amino-2,4-dimethyl-3-pyridinyl)methylcarbamoyl]-2-[(3-chloroquinolin-6-yl)methyl]-1,2,4-triazole-3-carboxylate (PubChem CID 159230357) has the molecular formula C67H63BrCl3N21O7 and a molecular weight of 1460.64 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-bromo-1-[(3-chloroquinolin-6-yl)methyl]-1,2,4-triazole-3-carboxamide;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-methyl-1,2,4-triazole-3-carboxamide;carbon dioxide;methyl 5-[(6-amino-2,4-dimethyl-3-pyridinyl)methylcarbamoyl]-2-[(3-chloroquinolin-6-yl)methyl]-1,2,4-triazole-3-carboxylate.

Molecular Properties

• Compound Name: N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-bromo-1-[(3-chloroquinolin-6-yl)methyl]-1,2,4-triazole-3-carboxamide;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-methyl-1,2,4-triazole-3-carboxamide;carbon dioxide;methyl 5-[(6-amino-2,4-dimethyl-3-pyridinyl)methylcarbamoyl]-2-[(3-chloroquinolin-6-yl)methyl]-1,2,4-triazole-3-carboxylate
• PubChem CID: 159230357
• Molecular Formula: C67H63BrCl3N21O7
• Molecular Weight: 1460.64 g/mol
• Exact Mass: 1457.35
• IUPAC Name: N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-bromo-1-[(3-chloroquinolin-6-yl)methyl]-1,2,4-triazole-3-carboxamide;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-methyl-1,2,4-triazole-3-carboxamide;carbon dioxide;methyl 5-[(6-amino-2,4-dimethyl-3-pyridinyl)methylcarbamoyl]-2-[(3-chloroquinolin-6-yl)methyl]-1,2,4-triazole-3-carboxylate
• SMILES: COC(=O)c1nc(C(=O)NCc2c(C)cc(N)nc2C)nn1Cc1ccc2ncc(Cl)cc2c1.Cc1cc(N)nc(C)c1CNC(=O)c1nc(Br)n(Cc2ccc3ncc(Cl)cc3c2)n1.Cc1cc(N)nc(C)c1CNC(=O)c1nc(C)n(Cc2ccc3ncc(Cl)cc3c2)n1.O=C=O
• InChI: InChI=1S/C23H22ClN7O3.C22H22ClN7O.C21H19BrClN7O.CO2/c1-12-6-19(25)28-13(2)17(12)10-27-22(32)20-29-21(23(33)34-3)31(30-20)11-14-4-5-18-15(7-14)8-16(24)9-26-18;1-12-6-20(24)27-13(2)18(12)10-26-22(31)21-28-14(3)30(29-21)11-15-4-5-19-16(7-15)8-17(23)9-25-19;1-11-5-18(24)27-12(2)16(11)9-26-20(31)19-28-21(22)30(29-19)10-13-3-4-17-14(6-13)7-15(23)8-25-17;2-1-3/h4-9H,10-11H2,1-3H3,(H2,25,28)(H,27,32);4-9H,10-11H2,1-3H3,(H2,24,27)(H,26,31);3-8H,9-10H2,1-2H3,(H2,24,27)(H,26,31)
• InChIKey: KSUYTPBRKCRPRP-UHFFFAOYSA-N
• XLogP: 9.43
• TPSA: 395.27 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 25
• Rotatable Bonds: 16
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1460.64
LogP ≤ 5	9.43
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-bromo-1-[(3-chloroquinolin-6-yl)methyl]-1,2,4-triazole-3-carboxamide;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-methyl-1,2,4-triazole-3-carboxamide;carbon dioxide;methyl 5-[(6-amino-2,4-dimethyl-3-pyridinyl)methylcarbamoyl]-2-[(3-chloroquinolin-6-yl)methyl]-1,2,4-triazole-3-carboxylate?

The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-bromo-1-[(3-chloroquinolin-6-yl)methyl]-1,2,4-triazole-3-carboxamide;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-methyl-1,2,4-triazole-3-carboxamide;carbon dioxide;methyl 5-[(6-amino-2,4-dimethyl-3-pyridinyl)methylcarbamoyl]-2-[(3-chloroquinolin-6-yl)methyl]-1,2,4-triazole-3-carboxylate (CID 159230357) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-bromo-1-[(3-chloroquinolin-6-yl)methyl]-1,2,4-triazole-3-carboxamide;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-methyl-1,2,4-triazole-3-carboxamide;carbon dioxide;methyl 5-[(6-amino-2,4-dimethyl-3-pyridinyl)methylcarbamoyl]-2-[(3-chloroquinolin-6-yl)methyl]-1,2,4-triazole-3-carboxylate.

What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-bromo-1-[(3-chloroquinolin-6-yl)methyl]-1,2,4-triazole-3-carboxamide;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-methyl-1,2,4-triazole-3-carboxamide;carbon dioxide;methyl 5-[(6-amino-2,4-dimethyl-3-pyridinyl)methylcarbamoyl]-2-[(3-chloroquinolin-6-yl)methyl]-1,2,4-triazole-3-carboxylate?

The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-bromo-1-[(3-chloroquinolin-6-yl)methyl]-1,2,4-triazole-3-carboxamide;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-methyl-1,2,4-triazole-3-carboxamide;carbon dioxide;methyl 5-[(6-amino-2,4-dimethyl-3-pyridinyl)methylcarbamoyl]-2-[(3-chloroquinolin-6-yl)methyl]-1,2,4-triazole-3-carboxylate is COC(=O)c1nc(C(=O)NCc2c(C)cc(N)nc2C)nn1Cc1ccc2ncc(Cl)cc2c1.Cc1cc(N)nc(C)c1CNC(=O)c1nc(Br)n(Cc2ccc3ncc(Cl)cc3c2)n1.Cc1cc(N)nc(C)c1CNC(=O)c1nc(C)n(Cc2ccc3ncc(Cl)cc3c2)n1.O=C=O.

What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-bromo-1-[(3-chloroquinolin-6-yl)methyl]-1,2,4-triazole-3-carboxamide;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-methyl-1,2,4-triazole-3-carboxamide;carbon dioxide;methyl 5-[(6-amino-2,4-dimethyl-3-pyridinyl)methylcarbamoyl]-2-[(3-chloroquinolin-6-yl)methyl]-1,2,4-triazole-3-carboxylate?

The InChIKey is KSUYTPBRKCRPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN7O3.C22H22ClN7O.C21H19BrClN7O.CO2/c1-12-6-19(25)28-13(2)17(12)10-27-22(32)20-29-21(23(33)34-3)31(30-20)11-14-4-5-18-15(7-14)8-16(24)9-26-18;1-12-6-20(24)27-13(2)18(12)10-26-22(31)21-28-14(3)30(29-21)11-15-4-5-19-16(7-15)8-17(23)9-25-19;1-11-5-18(24)27-12(2)16(11)9-26-20(31)19-28-21(22)30(29-19)10-13-3-4-17-14(6-13)7-15(23)8-25-17;2-1-3/h4-9H,10-11H2,1-3H3,(H2,25,28)(H,27,32);4-9H,10-11H2,1-3H3,(H2,24,27)(H,26,31);3-8H,9-10H2,1-2H3,(H2,24,27)(H,26,31);.

What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-bromo-1-[(3-chloroquinolin-6-yl)methyl]-1,2,4-triazole-3-carboxamide;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-methyl-1,2,4-triazole-3-carboxamide;carbon dioxide;methyl 5-[(6-amino-2,4-dimethyl-3-pyridinyl)methylcarbamoyl]-2-[(3-chloroquinolin-6-yl)methyl]-1,2,4-triazole-3-carboxylate?

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-bromo-1-[(3-chloroquinolin-6-yl)methyl]-1,2,4-triazole-3-carboxamide;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-methyl-1,2,4-triazole-3-carboxamide;carbon dioxide;methyl 5-[(6-amino-2,4-dimethyl-3-pyridinyl)methylcarbamoyl]-2-[(3-chloroquinolin-6-yl)methyl]-1,2,4-triazole-3-carboxylate has a molecular weight of 1460.64 g/mol, XLogP of 9.43, 16 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-bromo-1-[(3-chloroquinolin-6-yl)methyl]-1,2,4-triazole-3-carboxamide;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-methyl-1,2,4-triazole-3-carboxamide;carbon dioxide;methyl 5-[(6-amino-2,4-dimethyl-3-pyridinyl)methylcarbamoyl]-2-[(3-chloroquinolin-6-yl)methyl]-1,2,4-triazole-3-carboxylate is sourced from PubChem (CID 159230357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).