N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-bromo-1-[(3-chloroquinolin-6-yl)methyl]-1,2,4-triazole-3-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;5-bromo-1-[(3-chloroquinolin-6-yl)methyl]-1,2,4-triazole-3-carboxylic acid;methane

C43H44Br2Cl2N14O3 — CID 158248526

About N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-bromo-1-[(3-chloroquinolin-6-yl)methyl]-1,2,4-triazole-3-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;5-bromo-1-[(3-chloroquinolin-6-yl)methyl]-1,2,4-triazole-3-carboxylic acid;methane

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-bromo-1-[(3-chloroquinolin-6-yl)methyl]-1,2,4-triazole-3-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;5-bromo-1-[(3-chloroquinolin-6-yl)methyl]-1,2,4-triazole-3-carboxylic acid;methane (PubChem CID 158248526) has the molecular formula C43H44Br2Cl2N14O3 and a molecular weight of 1035.63 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;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;5-bromo-1-[(3-chloroquinolin-6-yl)methyl]-1,2,4-triazole-3-carboxylic acid;methane.

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;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;5-bromo-1-[(3-chloroquinolin-6-yl)methyl]-1,2,4-triazole-3-carboxylic acid;methane
• PubChem CID: 158248526
• Molecular Formula: C43H44Br2Cl2N14O3
• Molecular Weight: 1035.63 g/mol
• Exact Mass: 1032.15
• 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;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;5-bromo-1-[(3-chloroquinolin-6-yl)methyl]-1,2,4-triazole-3-carboxylic acid;methane
• SMILES: C.Cc1cc(N)nc(C)c1CN.Cc1cc(N)nc(C)c1CNC(=O)c1nc(Br)n(Cc2ccc3ncc(Cl)cc3c2)n1.O=C(O)c1nc(Br)n(Cc2ccc3ncc(Cl)cc3c2)n1
• InChI: InChI=1S/C21H19BrClN7O.C13H8BrClN4O2.C8H13N3.CH4/c1-11-5-18(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;14-13-17-11(12(20)21)18-19(13)6-7-1-2-10-8(3-7)4-9(15)5-16-10;1-5-3-8(10)11-6(2)7(5)4-9;/h3-8H,9-10H2,1-2H3,(H2,24,27)(H,26,31);1-5H,6H2,(H,20,21);3H,4,9H2,1-2H3,(H2,10,11);1H4
• InChIKey: GGKSKXHSSMLIDY-UHFFFAOYSA-N
• XLogP: 8.18
• TPSA: 257.44 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 15
• Rotatable Bonds: 9
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1035.63
LogP ≤ 5	8.18
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	15

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;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;5-bromo-1-[(3-chloroquinolin-6-yl)methyl]-1,2,4-triazole-3-carboxylic acid;methane?

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;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;5-bromo-1-[(3-chloroquinolin-6-yl)methyl]-1,2,4-triazole-3-carboxylic acid;methane (CID 158248526) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-bromo-1-[(3-chloroquinolin-6-yl)methyl]-1,2,4-triazole-3-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;5-bromo-1-[(3-chloroquinolin-6-yl)methyl]-1,2,4-triazole-3-carboxylic acid;methane.

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;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;5-bromo-1-[(3-chloroquinolin-6-yl)methyl]-1,2,4-triazole-3-carboxylic acid;methane?

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;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;5-bromo-1-[(3-chloroquinolin-6-yl)methyl]-1,2,4-triazole-3-carboxylic acid;methane is C.Cc1cc(N)nc(C)c1CN.Cc1cc(N)nc(C)c1CNC(=O)c1nc(Br)n(Cc2ccc3ncc(Cl)cc3c2)n1.O=C(O)c1nc(Br)n(Cc2ccc3ncc(Cl)cc3c2)n1.

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;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;5-bromo-1-[(3-chloroquinolin-6-yl)methyl]-1,2,4-triazole-3-carboxylic acid;methane?

The InChIKey is GGKSKXHSSMLIDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19BrClN7O.C13H8BrClN4O2.C8H13N3.CH4/c1-11-5-18(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;14-13-17-11(12(20)21)18-19(13)6-7-1-2-10-8(3-7)4-9(15)5-16-10;1-5-3-8(10)11-6(2)7(5)4-9;/h3-8H,9-10H2,1-2H3,(H2,24,27)(H,26,31);1-5H,6H2,(H,20,21);3H,4,9H2,1-2H3,(H2,10,11);1H4.

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;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;5-bromo-1-[(3-chloroquinolin-6-yl)methyl]-1,2,4-triazole-3-carboxylic acid;methane?

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-bromo-1-[(3-chloroquinolin-6-yl)methyl]-1,2,4-triazole-3-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;5-bromo-1-[(3-chloroquinolin-6-yl)methyl]-1,2,4-triazole-3-carboxylic acid;methane has a molecular weight of 1035.63 g/mol, XLogP of 8.18, 9 rotatable bonds, 5 hydrogen bond donors, and 15 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;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;5-bromo-1-[(3-chloroquinolin-6-yl)methyl]-1,2,4-triazole-3-carboxylic acid;methane is sourced from PubChem (CID 158248526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).