5-(aminomethyl)-6-methylpyridin-2-amine;bis(N-[(6-amino-2-methyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carboxamide);ethyl 5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carboxylate;hydrochloride

C62H58Cl4N18O7 — CID 157210148

About 5-(aminomethyl)-6-methylpyridin-2-amine;bis(N-[(6-amino-2-methyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carboxamide);ethyl 5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carboxylate;hydrochloride

5-(aminomethyl)-6-methylpyridin-2-amine;bis(N-[(6-amino-2-methyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carboxamide);ethyl 5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carboxylate;hydrochloride (PubChem CID 157210148) has the molecular formula C62H58Cl4N18O7 and a molecular weight of 1309.08 g/mol. Its IUPAC name is 5-(aminomethyl)-6-methylpyridin-2-amine;bis(N-[(6-amino-2-methyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carboxamide);ethyl 5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carboxylate;hydrochloride.

Molecular Properties

• Compound Name: 5-(aminomethyl)-6-methylpyridin-2-amine;bis(N-[(6-amino-2-methyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carboxamide);ethyl 5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carboxylate;hydrochloride
• PubChem CID: 157210148
• Molecular Formula: C62H58Cl4N18O7
• Molecular Weight: 1309.08 g/mol
• Exact Mass: 1306.35
• IUPAC Name: 5-(aminomethyl)-6-methylpyridin-2-amine;bis(N-[(6-amino-2-methyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carboxamide);ethyl 5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carboxylate;hydrochloride
• SMILES: CCOC(=O)c1nnc(Cc2ccc3ncc(Cl)cc3c2)o1.Cc1nc(N)ccc1CN.Cc1nc(N)ccc1CNC(=O)c1nnc(Cc2ccc3ncc(Cl)cc3c2)o1.Cc1nc(N)ccc1CNC(=O)c1nnc(Cc2ccc3ncc(Cl)cc3c2)o1.Cl
• InChI: InChI=1S/2C20H17ClN6O2.C15H12ClN3O3.C7H11N3.ClH/c2*1-11-13(3-5-17(22)25-11)9-24-19(28)20-27-26-18(29-20)7-12-2-4-16-14(6-12)8-15(21)10-23-16;1-2-21-15(20)14-19-18-13(22-14)6-9-3-4-12-10(5-9)7-11(16)8-17-12;1-5-6(4-8)2-3-7(9)10-5;/h2*2-6,8,10H,7,9H2,1H3,(H2,22,25)(H,24,28);3-5,7-8H,2,6H2,1H3;2-3H,4,8H2,1H3,(H2,9,10);1H
• InChIKey: FJXRAXQZSXZYGW-UHFFFAOYSA-N
• XLogP: 10.05
• TPSA: 382.68 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 23
• Rotatable Bonds: 15
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1309.08
LogP ≤ 5	10.05
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-6-methylpyridin-2-amine;bis(N-[(6-amino-2-methyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carboxamide);ethyl 5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carboxylate;hydrochloride?

The IUPAC name of 5-(aminomethyl)-6-methylpyridin-2-amine;bis(N-[(6-amino-2-methyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carboxamide);ethyl 5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carboxylate;hydrochloride (CID 157210148) is 5-(aminomethyl)-6-methylpyridin-2-amine;bis(N-[(6-amino-2-methyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carboxamide);ethyl 5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carboxylate;hydrochloride.

What is the SMILES notation for 5-(aminomethyl)-6-methylpyridin-2-amine;bis(N-[(6-amino-2-methyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carboxamide);ethyl 5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carboxylate;hydrochloride?

The canonical SMILES for 5-(aminomethyl)-6-methylpyridin-2-amine;bis(N-[(6-amino-2-methyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carboxamide);ethyl 5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carboxylate;hydrochloride is CCOC(=O)c1nnc(Cc2ccc3ncc(Cl)cc3c2)o1.Cc1nc(N)ccc1CN.Cc1nc(N)ccc1CNC(=O)c1nnc(Cc2ccc3ncc(Cl)cc3c2)o1.Cc1nc(N)ccc1CNC(=O)c1nnc(Cc2ccc3ncc(Cl)cc3c2)o1.Cl.

What is the InChIKey of 5-(aminomethyl)-6-methylpyridin-2-amine;bis(N-[(6-amino-2-methyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carboxamide);ethyl 5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carboxylate;hydrochloride?

The InChIKey is FJXRAXQZSXZYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H17ClN6O2.C15H12ClN3O3.C7H11N3.ClH/c2*1-11-13(3-5-17(22)25-11)9-24-19(28)20-27-26-18(29-20)7-12-2-4-16-14(6-12)8-15(21)10-23-16;1-2-21-15(20)14-19-18-13(22-14)6-9-3-4-12-10(5-9)7-11(16)8-17-12;1-5-6(4-8)2-3-7(9)10-5;/h2*2-6,8,10H,7,9H2,1H3,(H2,22,25)(H,24,28);3-5,7-8H,2,6H2,1H3;2-3H,4,8H2,1H3,(H2,9,10);1H.

What are the key properties of 5-(aminomethyl)-6-methylpyridin-2-amine;bis(N-[(6-amino-2-methyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carboxamide);ethyl 5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carboxylate;hydrochloride?

5-(aminomethyl)-6-methylpyridin-2-amine;bis(N-[(6-amino-2-methyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carboxamide);ethyl 5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carboxylate;hydrochloride has a molecular weight of 1309.08 g/mol, XLogP of 10.05, 15 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(aminomethyl)-6-methylpyridin-2-amine;bis(N-[(6-amino-2-methyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carboxamide);ethyl 5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carboxylate;hydrochloride is sourced from PubChem (CID 157210148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).