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

C54H46N10O4 — CID 157348986

About N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-11-pyrimidin-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-pyrimidin-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-pyrimidin-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-pyrimidin-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 157348986) has the molecular formula C54H46N10O4 and a molecular weight of 899.03 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-11-pyrimidin-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-pyrimidin-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-pyrimidin-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-pyrimidin-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: 157348986
• Molecular Formula: C54H46N10O4
• Molecular Weight: 899.03 g/mol
• Exact Mass: 898.37
• IUPAC Name: N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-11-pyrimidin-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-pyrimidin-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(-c3ncccn3)ccc21.Cc1cc(N)nc(C)c1CNC(=O)c1ccc2c(c1)C1OC2c2ccc(-c3ncccn3)cc21
• InChI: InChI=1S/2C27H23N5O2/c1-14-10-23(28)32-15(2)22(14)13-31-27(33)17-5-7-19-21(12-17)25-18-6-4-16(11-20(18)24(19)34-25)26-29-8-3-9-30-26;1-14-10-23(28)32-15(2)22(14)13-31-27(33)17-5-7-19-21(12-17)25-20-11-16(26-29-8-3-9-30-26)4-6-18(20)24(19)34-25/h2*3-12,24-25H,13H2,1-2H3,(H2,28,32)(H,31,33)
• InChIKey: BHHOXKRAINHDCB-UHFFFAOYSA-N
• XLogP: 8.38
• TPSA: 206.04 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	899.03
LogP ≤ 5	8.38
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-pyrimidin-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-pyrimidin-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-pyrimidin-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-pyrimidin-2-yl-15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9(14),10,12-hexaene-4-carboxamide (CID 157348986) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-11-pyrimidin-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-pyrimidin-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-pyrimidin-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-pyrimidin-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-pyrimidin-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-pyrimidin-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(-c3ncccn3)ccc21.Cc1cc(N)nc(C)c1CNC(=O)c1ccc2c(c1)C1OC2c2ccc(-c3ncccn3)cc21.

What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-11-pyrimidin-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-pyrimidin-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 BHHOXKRAINHDCB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H23N5O2/c1-14-10-23(28)32-15(2)22(14)13-31-27(33)17-5-7-19-21(12-17)25-18-6-4-16(11-20(18)24(19)34-25)26-29-8-3-9-30-26;1-14-10-23(28)32-15(2)22(14)13-31-27(33)17-5-7-19-21(12-17)25-20-11-16(26-29-8-3-9-30-26)4-6-18(20)24(19)34-25/h2*3-12,24-25H,13H2,1-2H3,(H2,28,32)(H,31,33).

What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-11-pyrimidin-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-pyrimidin-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-pyrimidin-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-pyrimidin-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 899.03 g/mol, XLogP of 8.38, 8 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-pyrimidin-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-pyrimidin-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 157348986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).