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

C43H43Cl2FN12O5 — CID 157189587

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

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1,2,4-oxadiazole-3-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;5-[(3-chloroquinolin-6-yl)methyl]-1,2,4-oxadiazole-3-carboxylic acid;deuterio(fluoro)methane (PubChem CID 157189587) has the molecular formula C43H43Cl2FN12O5 and a molecular weight of 898.81 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1,2,4-oxadiazole-3-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;5-[(3-chloroquinolin-6-yl)methyl]-1,2,4-oxadiazole-3-carboxylic acid;deuterio(fluoro)methane.

Molecular Properties

• Compound Name: N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1,2,4-oxadiazole-3-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;5-[(3-chloroquinolin-6-yl)methyl]-1,2,4-oxadiazole-3-carboxylic acid;deuterio(fluoro)methane
• PubChem CID: 157189587
• Molecular Formula: C43H43Cl2FN12O5
• Molecular Weight: 898.81 g/mol
• Exact Mass: 897.29
• IUPAC Name: N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1,2,4-oxadiazole-3-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;5-[(3-chloroquinolin-6-yl)methyl]-1,2,4-oxadiazole-3-carboxylic acid;deuterio(fluoro)methane
• SMILES: Cc1cc(N)nc(C)c1CN.Cc1cc(N)nc(C)c1CNC(=O)c1noc(Cc2ccc3ncc(Cl)cc3c2)n1.O=C(O)c1noc(Cc2ccc3ncc(Cl)cc3c2)n1.[2H]CF
• InChI: InChI=1S/C21H19ClN6O2.C13H8ClN3O3.C8H13N3.CH3F/c1-11-5-18(23)26-12(2)16(11)10-25-21(29)20-27-19(30-28-20)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)17-20-11;1-5-3-8(10)11-6(2)7(5)4-9;1-2/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);1H3/i;;;1D
• InChIKey: APNOWTQYZWCETR-PBJKEDEQSA-N
• XLogP: 7.27
• TPSA: 273.86 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 15
• Rotatable Bonds: 9
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	898.81
LogP ≤ 5	7.27
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-[(3-chloroquinolin-6-yl)methyl]-1,2,4-oxadiazole-3-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;5-[(3-chloroquinolin-6-yl)methyl]-1,2,4-oxadiazole-3-carboxylic acid;deuterio(fluoro)methane?

The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1,2,4-oxadiazole-3-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;5-[(3-chloroquinolin-6-yl)methyl]-1,2,4-oxadiazole-3-carboxylic acid;deuterio(fluoro)methane (CID 157189587) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1,2,4-oxadiazole-3-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;5-[(3-chloroquinolin-6-yl)methyl]-1,2,4-oxadiazole-3-carboxylic acid;deuterio(fluoro)methane.

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

The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1,2,4-oxadiazole-3-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;5-[(3-chloroquinolin-6-yl)methyl]-1,2,4-oxadiazole-3-carboxylic acid;deuterio(fluoro)methane is Cc1cc(N)nc(C)c1CN.Cc1cc(N)nc(C)c1CNC(=O)c1noc(Cc2ccc3ncc(Cl)cc3c2)n1.O=C(O)c1noc(Cc2ccc3ncc(Cl)cc3c2)n1.[2H]CF.

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

The InChIKey is APNOWTQYZWCETR-PBJKEDEQSA-N. The full InChI is InChI=1S/C21H19ClN6O2.C13H8ClN3O3.C8H13N3.CH3F/c1-11-5-18(23)26-12(2)16(11)10-25-21(29)20-27-19(30-28-20)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)17-20-11;1-5-3-8(10)11-6(2)7(5)4-9;1-2/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);1H3/i;;;1D.

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

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1,2,4-oxadiazole-3-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;5-[(3-chloroquinolin-6-yl)methyl]-1,2,4-oxadiazole-3-carboxylic acid;deuterio(fluoro)methane has a molecular weight of 898.81 g/mol, XLogP of 7.27, 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-[(3-chloroquinolin-6-yl)methyl]-1,2,4-oxadiazole-3-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;5-[(3-chloroquinolin-6-yl)methyl]-1,2,4-oxadiazole-3-carboxylic acid;deuterio(fluoro)methane is sourced from PubChem (CID 157189587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).