bis(N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(8-cyano-3-methylquinolin-6-yl)methyl]pyridine-4-carboxamide);5-(aminomethyl)-4-methylpyridin-2-amine;methyl 2-[(8-cyano-3-methylquinolin-6-yl)methyl]pyridine-4-carboxylate

C78H74N18O4 — CID 159457287

About bis(N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(8-cyano-3-methylquinolin-6-yl)methyl]pyridine-4-carboxamide);5-(aminomethyl)-4-methylpyridin-2-amine;methyl 2-[(8-cyano-3-methylquinolin-6-yl)methyl]pyridine-4-carboxylate

bis(N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(8-cyano-3-methylquinolin-6-yl)methyl]pyridine-4-carboxamide);5-(aminomethyl)-4-methylpyridin-2-amine;methyl 2-[(8-cyano-3-methylquinolin-6-yl)methyl]pyridine-4-carboxylate (PubChem CID 159457287) has the molecular formula C78H74N18O4 and a molecular weight of 1327.57 g/mol. Its IUPAC name is bis(N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(8-cyano-3-methylquinolin-6-yl)methyl]pyridine-4-carboxamide);5-(aminomethyl)-4-methylpyridin-2-amine;methyl 2-[(8-cyano-3-methylquinolin-6-yl)methyl]pyridine-4-carboxylate.

Molecular Properties

• Compound Name: bis(N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(8-cyano-3-methylquinolin-6-yl)methyl]pyridine-4-carboxamide);5-(aminomethyl)-4-methylpyridin-2-amine;methyl 2-[(8-cyano-3-methylquinolin-6-yl)methyl]pyridine-4-carboxylate
• PubChem CID: 159457287
• Molecular Formula: C78H74N18O4
• Molecular Weight: 1327.57 g/mol
• Exact Mass: 1326.61
• IUPAC Name: bis(N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(8-cyano-3-methylquinolin-6-yl)methyl]pyridine-4-carboxamide);5-(aminomethyl)-4-methylpyridin-2-amine;methyl 2-[(8-cyano-3-methylquinolin-6-yl)methyl]pyridine-4-carboxylate
• SMILES: COC(=O)c1ccnc(Cc2cc(C#N)c3ncc(C)cc3c2)c1.Cc1cc(N)ncc1CN.Cc1cnc2c(C#N)cc(Cc3cc(C(=O)NCc4c(C)cc(N)nc4C)ccn3)cc2c1.Cc1cnc2c(C#N)cc(Cc3cc(C(=O)NCc4c(C)cc(N)nc4C)ccn3)cc2c1
• InChI: InChI=1S/2C26H24N6O.C19H15N3O2.C7H11N3/c2*1-15-6-20-8-18(9-21(12-27)25(20)30-13-15)10-22-11-19(4-5-29-22)26(33)31-14-23-16(2)7-24(28)32-17(23)3;1-12-5-15-6-13(7-16(10-20)18(15)22-11-12)8-17-9-14(3-4-21-17)19(23)24-2;1-5-2-7(9)10-4-6(5)3-8/h2*4-9,11,13H,10,14H2,1-3H3,(H2,28,32)(H,31,33);3-7,9,11H,8H2,1-2H3;2,4H,3,8H2,1H3,(H2,9,10)
• InChIKey: LUDJGKOMPXFRHG-UHFFFAOYSA-N
• XLogP: 11.47
• TPSA: 375.96 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 20
• Rotatable Bonds: 14
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1327.57
LogP ≤ 5	11.47
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of bis(N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(8-cyano-3-methylquinolin-6-yl)methyl]pyridine-4-carboxamide);5-(aminomethyl)-4-methylpyridin-2-amine;methyl 2-[(8-cyano-3-methylquinolin-6-yl)methyl]pyridine-4-carboxylate?

The IUPAC name of bis(N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(8-cyano-3-methylquinolin-6-yl)methyl]pyridine-4-carboxamide);5-(aminomethyl)-4-methylpyridin-2-amine;methyl 2-[(8-cyano-3-methylquinolin-6-yl)methyl]pyridine-4-carboxylate (CID 159457287) is bis(N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(8-cyano-3-methylquinolin-6-yl)methyl]pyridine-4-carboxamide);5-(aminomethyl)-4-methylpyridin-2-amine;methyl 2-[(8-cyano-3-methylquinolin-6-yl)methyl]pyridine-4-carboxylate.

What is the SMILES notation for bis(N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(8-cyano-3-methylquinolin-6-yl)methyl]pyridine-4-carboxamide);5-(aminomethyl)-4-methylpyridin-2-amine;methyl 2-[(8-cyano-3-methylquinolin-6-yl)methyl]pyridine-4-carboxylate?

The canonical SMILES for bis(N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(8-cyano-3-methylquinolin-6-yl)methyl]pyridine-4-carboxamide);5-(aminomethyl)-4-methylpyridin-2-amine;methyl 2-[(8-cyano-3-methylquinolin-6-yl)methyl]pyridine-4-carboxylate is COC(=O)c1ccnc(Cc2cc(C#N)c3ncc(C)cc3c2)c1.Cc1cc(N)ncc1CN.Cc1cnc2c(C#N)cc(Cc3cc(C(=O)NCc4c(C)cc(N)nc4C)ccn3)cc2c1.Cc1cnc2c(C#N)cc(Cc3cc(C(=O)NCc4c(C)cc(N)nc4C)ccn3)cc2c1.

What is the InChIKey of bis(N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(8-cyano-3-methylquinolin-6-yl)methyl]pyridine-4-carboxamide);5-(aminomethyl)-4-methylpyridin-2-amine;methyl 2-[(8-cyano-3-methylquinolin-6-yl)methyl]pyridine-4-carboxylate?

The InChIKey is LUDJGKOMPXFRHG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H24N6O.C19H15N3O2.C7H11N3/c2*1-15-6-20-8-18(9-21(12-27)25(20)30-13-15)10-22-11-19(4-5-29-22)26(33)31-14-23-16(2)7-24(28)32-17(23)3;1-12-5-15-6-13(7-16(10-20)18(15)22-11-12)8-17-9-14(3-4-21-17)19(23)24-2;1-5-2-7(9)10-4-6(5)3-8/h2*4-9,11,13H,10,14H2,1-3H3,(H2,28,32)(H,31,33);3-7,9,11H,8H2,1-2H3;2,4H,3,8H2,1H3,(H2,9,10).

What are the key properties of bis(N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(8-cyano-3-methylquinolin-6-yl)methyl]pyridine-4-carboxamide);5-(aminomethyl)-4-methylpyridin-2-amine;methyl 2-[(8-cyano-3-methylquinolin-6-yl)methyl]pyridine-4-carboxylate?

bis(N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(8-cyano-3-methylquinolin-6-yl)methyl]pyridine-4-carboxamide);5-(aminomethyl)-4-methylpyridin-2-amine;methyl 2-[(8-cyano-3-methylquinolin-6-yl)methyl]pyridine-4-carboxylate has a molecular weight of 1327.57 g/mol, XLogP of 11.47, 14 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for bis(N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(8-cyano-3-methylquinolin-6-yl)methyl]pyridine-4-carboxamide);5-(aminomethyl)-4-methylpyridin-2-amine;methyl 2-[(8-cyano-3-methylquinolin-6-yl)methyl]pyridine-4-carboxylate is sourced from PubChem (CID 159457287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).