N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carboxamide;tert-butyl N-[5-[[[5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;methane

C48H50Cl2N12O6 — CID 158004844

About N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carboxamide;tert-butyl N-[5-[[[5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;methane

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carboxamide;tert-butyl N-[5-[[[5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;methane (PubChem CID 158004844) has the molecular formula C48H50Cl2N12O6 and a molecular weight of 961.91 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carboxamide;tert-butyl N-[5-[[[5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;methane.

Molecular Properties

• Compound Name: N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carboxamide;tert-butyl N-[5-[[[5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;methane
• PubChem CID: 158004844
• Molecular Formula: C48H50Cl2N12O6
• Molecular Weight: 961.91 g/mol
• Exact Mass: 960.34
• IUPAC Name: N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carboxamide;tert-butyl N-[5-[[[5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;methane
• SMILES: C.Cc1cc(N)nc(C)c1CNC(=O)c1nnc(Cc2ccc3ncc(Cl)cc3c2)o1.Cc1cc(NC(=O)OC(C)(C)C)nc(C)c1CNC(=O)c1nnc(Cc2ccc3ncc(Cl)cc3c2)o1
• InChI: InChI=1S/C26H27ClN6O4.C21H19ClN6O2.CH4/c1-14-8-21(31-25(35)37-26(3,4)5)30-15(2)19(14)13-29-23(34)24-33-32-22(36-24)10-16-6-7-20-17(9-16)11-18(27)12-28-20;1-11-5-18(23)26-12(2)16(11)10-25-20(29)21-28-27-19(30-21)7-13-3-4-17-14(6-13)8-15(22)9-24-17;/h6-9,11-12H,10,13H2,1-5H3,(H,29,34)(H,30,31,35);3-6,8-9H,7,10H2,1-2H3,(H2,23,26)(H,25,29);1H4
• InChIKey: FEDYXBPSAKMHEW-UHFFFAOYSA-N
• XLogP: 9.17
• TPSA: 251.95 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 15
• Rotatable Bonds: 11
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	961.91
LogP ≤ 5	9.17
H-Bond Donors ≤ 5	4
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]-1,3,4-oxadiazole-2-carboxamide;tert-butyl N-[5-[[[5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;methane?

The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carboxamide;tert-butyl N-[5-[[[5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;methane (CID 158004844) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carboxamide;tert-butyl N-[5-[[[5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;methane.

What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carboxamide;tert-butyl N-[5-[[[5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;methane?

The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carboxamide;tert-butyl N-[5-[[[5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;methane is C.Cc1cc(N)nc(C)c1CNC(=O)c1nnc(Cc2ccc3ncc(Cl)cc3c2)o1.Cc1cc(NC(=O)OC(C)(C)C)nc(C)c1CNC(=O)c1nnc(Cc2ccc3ncc(Cl)cc3c2)o1.

What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carboxamide;tert-butyl N-[5-[[[5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;methane?

The InChIKey is FEDYXBPSAKMHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN6O4.C21H19ClN6O2.CH4/c1-14-8-21(31-25(35)37-26(3,4)5)30-15(2)19(14)13-29-23(34)24-33-32-22(36-24)10-16-6-7-20-17(9-16)11-18(27)12-28-20;1-11-5-18(23)26-12(2)16(11)10-25-20(29)21-28-27-19(30-21)7-13-3-4-17-14(6-13)8-15(22)9-24-17;/h6-9,11-12H,10,13H2,1-5H3,(H,29,34)(H,30,31,35);3-6,8-9H,7,10H2,1-2H3,(H2,23,26)(H,25,29);1H4.

What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carboxamide;tert-butyl N-[5-[[[5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;methane?

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carboxamide;tert-butyl N-[5-[[[5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;methane has a molecular weight of 961.91 g/mol, XLogP of 9.17, 11 rotatable bonds, 4 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]-1,3,4-oxadiazole-2-carboxamide;tert-butyl N-[5-[[[5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;methane is sourced from PubChem (CID 158004844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).