N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-11-(5-chloro-2-fluorophenyl)-15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9(14),10,12-hexaene-4-carboxamide;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-12-(5-chloro-2-fluorophenyl)-15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9(14),10,12-hexaene-4-carboxamide

C58H46Cl2F2N6O4 — CID 159343923

About N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-11-(5-chloro-2-fluorophenyl)-15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9(14),10,12-hexaene-4-carboxamide;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-12-(5-chloro-2-fluorophenyl)-15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9(14),10,12-hexaene-4-carboxamide

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-11-(5-chloro-2-fluorophenyl)-15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9(14),10,12-hexaene-4-carboxamide;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-12-(5-chloro-2-fluorophenyl)-15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9(14),10,12-hexaene-4-carboxamide (PubChem CID 159343923) has the molecular formula C58H46Cl2F2N6O4 and a molecular weight of 999.95 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-11-(5-chloro-2-fluorophenyl)-15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9(14),10,12-hexaene-4-carboxamide;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-12-(5-chloro-2-fluorophenyl)-15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9(14),10,12-hexaene-4-carboxamide.

Molecular Properties

• Compound Name: N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-11-(5-chloro-2-fluorophenyl)-15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9(14),10,12-hexaene-4-carboxamide;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-12-(5-chloro-2-fluorophenyl)-15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9(14),10,12-hexaene-4-carboxamide
• PubChem CID: 159343923
• Molecular Formula: C58H46Cl2F2N6O4
• Molecular Weight: 999.95 g/mol
• Exact Mass: 998.29
• IUPAC Name: N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-11-(5-chloro-2-fluorophenyl)-15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9(14),10,12-hexaene-4-carboxamide;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-12-(5-chloro-2-fluorophenyl)-15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9(14),10,12-hexaene-4-carboxamide
• SMILES: Cc1cc(N)nc(C)c1CNC(=O)c1ccc2c(c1)C1OC2c2cc(-c3cc(Cl)ccc3F)ccc21.Cc1cc(N)nc(C)c1CNC(=O)c1ccc2c(c1)C1OC2c2ccc(-c3cc(Cl)ccc3F)cc21
• InChI: InChI=1S/2C29H23ClFN3O2/c1-14-9-26(32)34-15(2)24(14)13-33-29(35)17-4-7-20-23(11-17)28-19-6-3-16(10-22(19)27(20)36-28)21-12-18(30)5-8-25(21)31;1-14-9-26(32)34-15(2)24(14)13-33-29(35)17-4-7-20-23(11-17)28-22-10-16(3-6-19(22)27(20)36-28)21-12-18(30)5-8-25(21)31/h2*3-12,27-28H,13H2,1-2H3,(H2,32,34)(H,33,35)
• InChIKey: LGMCXUUWKGSJOL-UHFFFAOYSA-N
• XLogP: 12.39
• TPSA: 154.48 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	999.95
LogP ≤ 5	12.39
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-11-(5-chloro-2-fluorophenyl)-15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9(14),10,12-hexaene-4-carboxamide;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-12-(5-chloro-2-fluorophenyl)-15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9(14),10,12-hexaene-4-carboxamide?

The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-11-(5-chloro-2-fluorophenyl)-15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9(14),10,12-hexaene-4-carboxamide;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-12-(5-chloro-2-fluorophenyl)-15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9(14),10,12-hexaene-4-carboxamide (CID 159343923) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-11-(5-chloro-2-fluorophenyl)-15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9(14),10,12-hexaene-4-carboxamide;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-12-(5-chloro-2-fluorophenyl)-15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9(14),10,12-hexaene-4-carboxamide.

What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-11-(5-chloro-2-fluorophenyl)-15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9(14),10,12-hexaene-4-carboxamide;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-12-(5-chloro-2-fluorophenyl)-15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9(14),10,12-hexaene-4-carboxamide?

The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-11-(5-chloro-2-fluorophenyl)-15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9(14),10,12-hexaene-4-carboxamide;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-12-(5-chloro-2-fluorophenyl)-15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9(14),10,12-hexaene-4-carboxamide is Cc1cc(N)nc(C)c1CNC(=O)c1ccc2c(c1)C1OC2c2cc(-c3cc(Cl)ccc3F)ccc21.Cc1cc(N)nc(C)c1CNC(=O)c1ccc2c(c1)C1OC2c2ccc(-c3cc(Cl)ccc3F)cc21.

What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-11-(5-chloro-2-fluorophenyl)-15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9(14),10,12-hexaene-4-carboxamide;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-12-(5-chloro-2-fluorophenyl)-15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9(14),10,12-hexaene-4-carboxamide?

The InChIKey is LGMCXUUWKGSJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C29H23ClFN3O2/c1-14-9-26(32)34-15(2)24(14)13-33-29(35)17-4-7-20-23(11-17)28-19-6-3-16(10-22(19)27(20)36-28)21-12-18(30)5-8-25(21)31;1-14-9-26(32)34-15(2)24(14)13-33-29(35)17-4-7-20-23(11-17)28-22-10-16(3-6-19(22)27(20)36-28)21-12-18(30)5-8-25(21)31/h2*3-12,27-28H,13H2,1-2H3,(H2,32,34)(H,33,35).

What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-11-(5-chloro-2-fluorophenyl)-15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9(14),10,12-hexaene-4-carboxamide;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-12-(5-chloro-2-fluorophenyl)-15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9(14),10,12-hexaene-4-carboxamide?

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-11-(5-chloro-2-fluorophenyl)-15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9(14),10,12-hexaene-4-carboxamide;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-12-(5-chloro-2-fluorophenyl)-15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9(14),10,12-hexaene-4-carboxamide has a molecular weight of 999.95 g/mol, XLogP of 12.39, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-11-(5-chloro-2-fluorophenyl)-15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9(14),10,12-hexaene-4-carboxamide;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-12-(5-chloro-2-fluorophenyl)-15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9(14),10,12-hexaene-4-carboxamide is sourced from PubChem (CID 159343923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).