6-[(1-acetylazetidin-3-yl)amino]-N-[3-[1-cyclodecyl-2-[(4-methyl-1,3-oxazol-5-yl)methoxy]-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]-2-hydroxypropyl]-2-piperidin-1-ylpyrimidine-4-carboxamide

C41H65N9O5 — CID 166683565

About 6-[(1-acetylazetidin-3-yl)amino]-N-[3-[1-cyclodecyl-2-[(4-methyl-1,3-oxazol-5-yl)methoxy]-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]-2-hydroxypropyl]-2-piperidin-1-ylpyrimidine-4-carboxamide

6-[(1-acetylazetidin-3-yl)amino]-N-[3-[1-cyclodecyl-2-[(4-methyl-1,3-oxazol-5-yl)methoxy]-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]-2-hydroxypropyl]-2-piperidin-1-ylpyrimidine-4-carboxamide (PubChem CID 166683565) has the molecular formula C41H65N9O5 and a molecular weight of 764.03 g/mol. Its IUPAC name is 6-[(1-acetylazetidin-3-yl)amino]-N-[3-[1-cyclodecyl-2-[(4-methyl-1,3-oxazol-5-yl)methoxy]-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]-2-hydroxypropyl]-2-piperidin-1-ylpyrimidine-4-carboxamide.

Molecular Properties

• Compound Name: 6-[(1-acetylazetidin-3-yl)amino]-N-[3-[1-cyclodecyl-2-[(4-methyl-1,3-oxazol-5-yl)methoxy]-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]-2-hydroxypropyl]-2-piperidin-1-ylpyrimidine-4-carboxamide
• PubChem CID: 166683565
• Molecular Formula: C41H65N9O5
• Molecular Weight: 764.03 g/mol
• Exact Mass: 763.51
• IUPAC Name: 6-[(1-acetylazetidin-3-yl)amino]-N-[3-[1-cyclodecyl-2-[(4-methyl-1,3-oxazol-5-yl)methoxy]-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]-2-hydroxypropyl]-2-piperidin-1-ylpyrimidine-4-carboxamide
• SMILES: CC(=O)N1CC(Nc2cc(C(=O)NCC(O)CN3CCC4C(CCC(OCc5ocnc5C)N4C4CCCCCCCCC4)C3)nc(N3CCCCC3)n2)C1
• InChI: InChI=1S/C41H65N9O5/c1-29-37(55-28-43-29)27-54-39-16-15-31-23-47(20-17-36(31)50(39)33-13-9-6-4-3-5-7-10-14-33)26-34(52)22-42-40(53)35-21-38(44-32-24-49(25-32)30(2)51)46-41(45-35)48-18-11-8-12-19-48/h21,28,31-34,36,39,52H,3-20,22-27H2,1-2H3,(H,42,53)(H,44,45,46)
• InChIKey: IDNORXVBDHWBBB-UHFFFAOYSA-N
• XLogP: 4.72
• TPSA: 152.43 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	764.03
LogP ≤ 5	4.72
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 6-[(1-acetylazetidin-3-yl)amino]-N-[3-[1-cyclodecyl-2-[(4-methyl-1,3-oxazol-5-yl)methoxy]-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]-2-hydroxypropyl]-2-piperidin-1-ylpyrimidine-4-carboxamide?

The IUPAC name of 6-[(1-acetylazetidin-3-yl)amino]-N-[3-[1-cyclodecyl-2-[(4-methyl-1,3-oxazol-5-yl)methoxy]-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]-2-hydroxypropyl]-2-piperidin-1-ylpyrimidine-4-carboxamide (CID 166683565) is 6-[(1-acetylazetidin-3-yl)amino]-N-[3-[1-cyclodecyl-2-[(4-methyl-1,3-oxazol-5-yl)methoxy]-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]-2-hydroxypropyl]-2-piperidin-1-ylpyrimidine-4-carboxamide.

What is the SMILES notation for 6-[(1-acetylazetidin-3-yl)amino]-N-[3-[1-cyclodecyl-2-[(4-methyl-1,3-oxazol-5-yl)methoxy]-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]-2-hydroxypropyl]-2-piperidin-1-ylpyrimidine-4-carboxamide?

The canonical SMILES for 6-[(1-acetylazetidin-3-yl)amino]-N-[3-[1-cyclodecyl-2-[(4-methyl-1,3-oxazol-5-yl)methoxy]-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]-2-hydroxypropyl]-2-piperidin-1-ylpyrimidine-4-carboxamide is CC(=O)N1CC(Nc2cc(C(=O)NCC(O)CN3CCC4C(CCC(OCc5ocnc5C)N4C4CCCCCCCCC4)C3)nc(N3CCCCC3)n2)C1.

What is the InChIKey of 6-[(1-acetylazetidin-3-yl)amino]-N-[3-[1-cyclodecyl-2-[(4-methyl-1,3-oxazol-5-yl)methoxy]-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]-2-hydroxypropyl]-2-piperidin-1-ylpyrimidine-4-carboxamide?

The InChIKey is IDNORXVBDHWBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H65N9O5/c1-29-37(55-28-43-29)27-54-39-16-15-31-23-47(20-17-36(31)50(39)33-13-9-6-4-3-5-7-10-14-33)26-34(52)22-42-40(53)35-21-38(44-32-24-49(25-32)30(2)51)46-41(45-35)48-18-11-8-12-19-48/h21,28,31-34,36,39,52H,3-20,22-27H2,1-2H3,(H,42,53)(H,44,45,46).

What are the key properties of 6-[(1-acetylazetidin-3-yl)amino]-N-[3-[1-cyclodecyl-2-[(4-methyl-1,3-oxazol-5-yl)methoxy]-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]-2-hydroxypropyl]-2-piperidin-1-ylpyrimidine-4-carboxamide?

6-[(1-acetylazetidin-3-yl)amino]-N-[3-[1-cyclodecyl-2-[(4-methyl-1,3-oxazol-5-yl)methoxy]-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]-2-hydroxypropyl]-2-piperidin-1-ylpyrimidine-4-carboxamide has a molecular weight of 764.03 g/mol, XLogP of 4.72, 12 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(1-acetylazetidin-3-yl)amino]-N-[3-[1-cyclodecyl-2-[(4-methyl-1,3-oxazol-5-yl)methoxy]-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]-2-hydroxypropyl]-2-piperidin-1-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 166683565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).