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

C42H40Cl2N12O5 — CID 159844664

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

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-[(3-chloroquinolin-6-yl)methyl]-1,2,4-oxadiazole-5-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;3-[(3-chloroquinolin-6-yl)methyl]-1,2,4-oxadiazole-5-carboxylic acid (PubChem CID 159844664) has the molecular formula C42H40Cl2N12O5 and a molecular weight of 863.77 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-[(3-chloroquinolin-6-yl)methyl]-1,2,4-oxadiazole-5-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;3-[(3-chloroquinolin-6-yl)methyl]-1,2,4-oxadiazole-5-carboxylic acid.

Molecular Properties

• Compound Name: N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-[(3-chloroquinolin-6-yl)methyl]-1,2,4-oxadiazole-5-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;3-[(3-chloroquinolin-6-yl)methyl]-1,2,4-oxadiazole-5-carboxylic acid
• PubChem CID: 159844664
• Molecular Formula: C42H40Cl2N12O5
• Molecular Weight: 863.77 g/mol
• Exact Mass: 862.26
• IUPAC Name: N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-[(3-chloroquinolin-6-yl)methyl]-1,2,4-oxadiazole-5-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;3-[(3-chloroquinolin-6-yl)methyl]-1,2,4-oxadiazole-5-carboxylic acid
• SMILES: Cc1cc(N)nc(C)c1CN.Cc1cc(N)nc(C)c1CNC(=O)c1nc(Cc2ccc3ncc(Cl)cc3c2)no1.O=C(O)c1nc(Cc2ccc3ncc(Cl)cc3c2)no1
• InChI: InChI=1S/C21H19ClN6O2.C13H8ClN3O3.C8H13N3/c1-11-5-18(23)26-12(2)16(11)10-25-20(29)21-27-19(28-30-21)7-13-3-4-17-14(6-13)8-15(22)9-24-17;14-9-5-8-3-7(1-2-10(8)15-6-9)4-11-16-12(13(18)19)20-17-11;1-5-3-8(10)11-6(2)7(5)4-9/h3-6,8-9H,7,10H2,1-2H3,(H2,23,26)(H,25,29);1-3,5-6H,4H2,(H,18,19);3H,4,9H2,1-2H3,(H2,10,11)
• InChIKey: NPDHVHKMKPNOFM-UHFFFAOYSA-N
• XLogP: 6.69
• TPSA: 273.86 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 15
• Rotatable Bonds: 9
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	863.77
LogP ≤ 5	6.69
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]-3-[(3-chloroquinolin-6-yl)methyl]-1,2,4-oxadiazole-5-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;3-[(3-chloroquinolin-6-yl)methyl]-1,2,4-oxadiazole-5-carboxylic acid?

The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-[(3-chloroquinolin-6-yl)methyl]-1,2,4-oxadiazole-5-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;3-[(3-chloroquinolin-6-yl)methyl]-1,2,4-oxadiazole-5-carboxylic acid (CID 159844664) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-[(3-chloroquinolin-6-yl)methyl]-1,2,4-oxadiazole-5-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;3-[(3-chloroquinolin-6-yl)methyl]-1,2,4-oxadiazole-5-carboxylic acid.

What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-[(3-chloroquinolin-6-yl)methyl]-1,2,4-oxadiazole-5-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;3-[(3-chloroquinolin-6-yl)methyl]-1,2,4-oxadiazole-5-carboxylic acid?

The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-[(3-chloroquinolin-6-yl)methyl]-1,2,4-oxadiazole-5-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;3-[(3-chloroquinolin-6-yl)methyl]-1,2,4-oxadiazole-5-carboxylic acid is Cc1cc(N)nc(C)c1CN.Cc1cc(N)nc(C)c1CNC(=O)c1nc(Cc2ccc3ncc(Cl)cc3c2)no1.O=C(O)c1nc(Cc2ccc3ncc(Cl)cc3c2)no1.

What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-[(3-chloroquinolin-6-yl)methyl]-1,2,4-oxadiazole-5-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;3-[(3-chloroquinolin-6-yl)methyl]-1,2,4-oxadiazole-5-carboxylic acid?

The InChIKey is NPDHVHKMKPNOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN6O2.C13H8ClN3O3.C8H13N3/c1-11-5-18(23)26-12(2)16(11)10-25-20(29)21-27-19(28-30-21)7-13-3-4-17-14(6-13)8-15(22)9-24-17;14-9-5-8-3-7(1-2-10(8)15-6-9)4-11-16-12(13(18)19)20-17-11;1-5-3-8(10)11-6(2)7(5)4-9/h3-6,8-9H,7,10H2,1-2H3,(H2,23,26)(H,25,29);1-3,5-6H,4H2,(H,18,19);3H,4,9H2,1-2H3,(H2,10,11).

What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-[(3-chloroquinolin-6-yl)methyl]-1,2,4-oxadiazole-5-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;3-[(3-chloroquinolin-6-yl)methyl]-1,2,4-oxadiazole-5-carboxylic acid?

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-[(3-chloroquinolin-6-yl)methyl]-1,2,4-oxadiazole-5-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;3-[(3-chloroquinolin-6-yl)methyl]-1,2,4-oxadiazole-5-carboxylic acid has a molecular weight of 863.77 g/mol, XLogP of 6.69, 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]-3-[(3-chloroquinolin-6-yl)methyl]-1,2,4-oxadiazole-5-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;3-[(3-chloroquinolin-6-yl)methyl]-1,2,4-oxadiazole-5-carboxylic acid is sourced from PubChem (CID 159844664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).