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

C56H48N8O4 — CID 157229351

About N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-11-pyridin-2-yl-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-pyridin-2-yl-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-pyridin-2-yl-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-pyridin-2-yl-15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9(14),10,12-hexaene-4-carboxamide (PubChem CID 157229351) has the molecular formula C56H48N8O4 and a molecular weight of 897.05 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-11-pyridin-2-yl-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-pyridin-2-yl-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-pyridin-2-yl-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-pyridin-2-yl-15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9(14),10,12-hexaene-4-carboxamide
• PubChem CID: 157229351
• Molecular Formula: C56H48N8O4
• Molecular Weight: 897.05 g/mol
• Exact Mass: 896.38
• IUPAC Name: N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-11-pyridin-2-yl-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-pyridin-2-yl-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(-c3ccccn3)ccc21.Cc1cc(N)nc(C)c1CNC(=O)c1ccc2c(c1)C1OC2c2ccc(-c3ccccn3)cc21
• InChI: InChI=1S/2C28H24N4O2/c1-15-11-25(29)32-16(2)23(15)14-31-28(33)18-7-9-20-22(13-18)27-19-8-6-17(12-21(19)26(20)34-27)24-5-3-4-10-30-24;1-15-11-25(29)32-16(2)23(15)14-31-28(33)18-7-9-20-22(13-18)27-21-12-17(24-5-3-4-10-30-24)6-8-19(21)26(20)34-27/h2*3-13,26-27H,14H2,1-2H3,(H2,29,32)(H,31,33)
• InChIKey: ATXQTLHQISSUKW-UHFFFAOYSA-N
• XLogP: 9.59
• TPSA: 180.26 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	897.05
LogP ≤ 5	9.59
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-11-pyridin-2-yl-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-pyridin-2-yl-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-pyridin-2-yl-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-pyridin-2-yl-15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9(14),10,12-hexaene-4-carboxamide (CID 157229351) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-11-pyridin-2-yl-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-pyridin-2-yl-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-pyridin-2-yl-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-pyridin-2-yl-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-pyridin-2-yl-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-pyridin-2-yl-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(-c3ccccn3)ccc21.Cc1cc(N)nc(C)c1CNC(=O)c1ccc2c(c1)C1OC2c2ccc(-c3ccccn3)cc21.

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

The InChIKey is ATXQTLHQISSUKW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C28H24N4O2/c1-15-11-25(29)32-16(2)23(15)14-31-28(33)18-7-9-20-22(13-18)27-19-8-6-17(12-21(19)26(20)34-27)24-5-3-4-10-30-24;1-15-11-25(29)32-16(2)23(15)14-31-28(33)18-7-9-20-22(13-18)27-21-12-17(24-5-3-4-10-30-24)6-8-19(21)26(20)34-27/h2*3-13,26-27H,14H2,1-2H3,(H2,29,32)(H,31,33).

What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-11-pyridin-2-yl-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-pyridin-2-yl-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-pyridin-2-yl-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-pyridin-2-yl-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 897.05 g/mol, XLogP of 9.59, 8 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-11-pyridin-2-yl-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-pyridin-2-yl-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 157229351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).