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

C62H58F2N8O6 — CID 159370366

About N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-11-(5-fluoro-2-propan-2-yloxy-4-pyridinyl)-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-fluoro-2-propan-2-yloxy-4-pyridinyl)-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-fluoro-2-propan-2-yloxy-4-pyridinyl)-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-fluoro-2-propan-2-yloxy-4-pyridinyl)-15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9(14),10,12-hexaene-4-carboxamide (PubChem CID 159370366) has the molecular formula C62H58F2N8O6 and a molecular weight of 1049.19 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-11-(5-fluoro-2-propan-2-yloxy-4-pyridinyl)-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-fluoro-2-propan-2-yloxy-4-pyridinyl)-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-fluoro-2-propan-2-yloxy-4-pyridinyl)-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-fluoro-2-propan-2-yloxy-4-pyridinyl)-15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9(14),10,12-hexaene-4-carboxamide
• PubChem CID: 159370366
• Molecular Formula: C62H58F2N8O6
• Molecular Weight: 1049.19 g/mol
• Exact Mass: 1048.44
• IUPAC Name: N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-11-(5-fluoro-2-propan-2-yloxy-4-pyridinyl)-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-fluoro-2-propan-2-yloxy-4-pyridinyl)-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(OC(C)C)ncc3F)ccc21.Cc1cc(N)nc(C)c1CNC(=O)c1ccc2c(c1)C1OC2c2ccc(-c3cc(OC(C)C)ncc3F)cc21
• InChI: InChI=1S/2C31H29FN4O3/c1-15(2)38-28-12-22(26(32)14-34-28)18-5-7-20-23(10-18)29-21-8-6-19(11-24(21)30(20)39-29)31(37)35-13-25-16(3)9-27(33)36-17(25)4;1-15(2)38-28-12-22(26(32)14-34-28)18-5-7-20-23(10-18)30-24-11-19(6-8-21(24)29(20)39-30)31(37)35-13-25-16(3)9-27(33)36-17(25)4/h2*5-12,14-15,29-30H,13H2,1-4H3,(H2,33,36)(H,35,37)
• InChIKey: LJQVTZKDEWQDPI-UHFFFAOYSA-N
• XLogP: 11.44
• TPSA: 198.72 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1049.19
LogP ≤ 5	11.44
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-11-(5-fluoro-2-propan-2-yloxy-4-pyridinyl)-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-fluoro-2-propan-2-yloxy-4-pyridinyl)-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-fluoro-2-propan-2-yloxy-4-pyridinyl)-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-fluoro-2-propan-2-yloxy-4-pyridinyl)-15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9(14),10,12-hexaene-4-carboxamide (CID 159370366) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-11-(5-fluoro-2-propan-2-yloxy-4-pyridinyl)-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-fluoro-2-propan-2-yloxy-4-pyridinyl)-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-fluoro-2-propan-2-yloxy-4-pyridinyl)-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-fluoro-2-propan-2-yloxy-4-pyridinyl)-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-fluoro-2-propan-2-yloxy-4-pyridinyl)-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-fluoro-2-propan-2-yloxy-4-pyridinyl)-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(OC(C)C)ncc3F)ccc21.Cc1cc(N)nc(C)c1CNC(=O)c1ccc2c(c1)C1OC2c2ccc(-c3cc(OC(C)C)ncc3F)cc21.

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

The InChIKey is LJQVTZKDEWQDPI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C31H29FN4O3/c1-15(2)38-28-12-22(26(32)14-34-28)18-5-7-20-23(10-18)29-21-8-6-19(11-24(21)30(20)39-29)31(37)35-13-25-16(3)9-27(33)36-17(25)4;1-15(2)38-28-12-22(26(32)14-34-28)18-5-7-20-23(10-18)30-24-11-19(6-8-21(24)29(20)39-30)31(37)35-13-25-16(3)9-27(33)36-17(25)4/h2*5-12,14-15,29-30H,13H2,1-4H3,(H2,33,36)(H,35,37).

What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-11-(5-fluoro-2-propan-2-yloxy-4-pyridinyl)-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-fluoro-2-propan-2-yloxy-4-pyridinyl)-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-fluoro-2-propan-2-yloxy-4-pyridinyl)-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-fluoro-2-propan-2-yloxy-4-pyridinyl)-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 1049.19 g/mol, XLogP of 11.44, 12 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-11-(5-fluoro-2-propan-2-yloxy-4-pyridinyl)-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-fluoro-2-propan-2-yloxy-4-pyridinyl)-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 159370366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).