6-(5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-11-yl)-N-methylpyridine-3-carboxamide;5-(5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-11-yl)pyrimidine-2-carbonitrile

C34H25N11O3 — CID 122446314

About 6-(5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-11-yl)-N-methylpyridine-3-carboxamide;5-(5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-11-yl)pyrimidine-2-carbonitrile

6-(5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-11-yl)-N-methylpyridine-3-carboxamide;5-(5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-11-yl)pyrimidine-2-carbonitrile (PubChem CID 122446314) has the molecular formula C34H25N11O3 and a molecular weight of 635.65 g/mol. Its IUPAC name is 6-(5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-11-yl)-N-methylpyridine-3-carboxamide;5-(5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-11-yl)pyrimidine-2-carbonitrile.

Molecular Properties

• Compound Name: 6-(5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-11-yl)-N-methylpyridine-3-carboxamide;5-(5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-11-yl)pyrimidine-2-carbonitrile
• PubChem CID: 122446314
• Molecular Formula: C34H25N11O3
• Molecular Weight: 635.65 g/mol
• Exact Mass: 635.21
• IUPAC Name: 6-(5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-11-yl)-N-methylpyridine-3-carboxamide;5-(5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-11-yl)pyrimidine-2-carbonitrile
• SMILES: CNC(=O)c1ccc(-c2ccc3c(n2)[nH]c2cc(OC)ncc23)nc1.COc1cc2[nH]c3nc(-c4cnc(C#N)nc4)ccc3c2cn1
• InChI: InChI=1S/C18H15N5O2.C16H10N6O/c1-19-18(24)10-3-5-13(20-8-10)14-6-4-11-12-9-21-16(25-2)7-15(12)23-17(11)22-14;1-23-15-4-13-11(8-20-15)10-2-3-12(21-16(10)22-13)9-6-18-14(5-17)19-7-9/h3-9H,1-2H3,(H,19,24)(H,22,23);2-4,6-8H,1H3,(H,21,22)
• InChIKey: ZHXSZBSZWAHVSX-UHFFFAOYSA-N
• XLogP: 4.99
• TPSA: 193.16 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 5
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	635.65
LogP ≤ 5	4.99
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 6-(5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-11-yl)-N-methylpyridine-3-carboxamide;5-(5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-11-yl)pyrimidine-2-carbonitrile?

The IUPAC name of 6-(5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-11-yl)-N-methylpyridine-3-carboxamide;5-(5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-11-yl)pyrimidine-2-carbonitrile (CID 122446314) is 6-(5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-11-yl)-N-methylpyridine-3-carboxamide;5-(5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-11-yl)pyrimidine-2-carbonitrile.

What is the SMILES notation for 6-(5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-11-yl)-N-methylpyridine-3-carboxamide;5-(5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-11-yl)pyrimidine-2-carbonitrile?

The canonical SMILES for 6-(5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-11-yl)-N-methylpyridine-3-carboxamide;5-(5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-11-yl)pyrimidine-2-carbonitrile is CNC(=O)c1ccc(-c2ccc3c(n2)[nH]c2cc(OC)ncc23)nc1.COc1cc2[nH]c3nc(-c4cnc(C#N)nc4)ccc3c2cn1.

What is the InChIKey of 6-(5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-11-yl)-N-methylpyridine-3-carboxamide;5-(5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-11-yl)pyrimidine-2-carbonitrile?

The InChIKey is ZHXSZBSZWAHVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O2.C16H10N6O/c1-19-18(24)10-3-5-13(20-8-10)14-6-4-11-12-9-21-16(25-2)7-15(12)23-17(11)22-14;1-23-15-4-13-11(8-20-15)10-2-3-12(21-16(10)22-13)9-6-18-14(5-17)19-7-9/h3-9H,1-2H3,(H,19,24)(H,22,23);2-4,6-8H,1H3,(H,21,22).

What are the key properties of 6-(5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-11-yl)-N-methylpyridine-3-carboxamide;5-(5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-11-yl)pyrimidine-2-carbonitrile?

6-(5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-11-yl)-N-methylpyridine-3-carboxamide;5-(5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-11-yl)pyrimidine-2-carbonitrile has a molecular weight of 635.65 g/mol, XLogP of 4.99, 5 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-11-yl)-N-methylpyridine-3-carboxamide;5-(5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-11-yl)pyrimidine-2-carbonitrile is sourced from PubChem (CID 122446314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).