1-(5-cyano-2-pyridinyl)-N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide

C26H25F2N5O2 — CID 146265772

About 1-(5-cyano-2-pyridinyl)-N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide

1-(5-cyano-2-pyridinyl)-N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide (PubChem CID 146265772) has the molecular formula C26H25F2N5O2 and a molecular weight of 477.52 g/mol. Its IUPAC name is 1-(5-cyano-2-pyridinyl)-N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(5-cyano-2-pyridinyl)-N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide
• PubChem CID: 146265772
• Molecular Formula: C26H25F2N5O2
• Molecular Weight: 477.52 g/mol
• Exact Mass: 477.20
• IUPAC Name: 1-(5-cyano-2-pyridinyl)-N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide
• SMILES: Cc1ccc(NC(=O)C2(c3ccccc3C(C)C)CN(c3ccc(C#N)cn3)C2)c(OC(F)F)n1
• InChI: InChI=1S/C26H25F2N5O2/c1-16(2)19-6-4-5-7-20(19)26(14-33(15-26)22-11-9-18(12-29)13-30-22)24(34)32-21-10-8-17(3)31-23(21)35-25(27)28/h4-11,13,16,25H,14-15H2,1-3H3,(H,32,34)
• InChIKey: JPUWTMCRTUXKEJ-UHFFFAOYSA-N
• XLogP: 4.78
• TPSA: 91.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	477.52
LogP ≤ 5	4.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(5-cyano-2-pyridinyl)-N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide?

The IUPAC name of 1-(5-cyano-2-pyridinyl)-N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide (CID 146265772) is 1-(5-cyano-2-pyridinyl)-N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide.

What is the SMILES notation for 1-(5-cyano-2-pyridinyl)-N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide?

The canonical SMILES for 1-(5-cyano-2-pyridinyl)-N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide is Cc1ccc(NC(=O)C2(c3ccccc3C(C)C)CN(c3ccc(C#N)cn3)C2)c(OC(F)F)n1.

What is the InChIKey of 1-(5-cyano-2-pyridinyl)-N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide?

The InChIKey is JPUWTMCRTUXKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F2N5O2/c1-16(2)19-6-4-5-7-20(19)26(14-33(15-26)22-11-9-18(12-29)13-30-22)24(34)32-21-10-8-17(3)31-23(21)35-25(27)28/h4-11,13,16,25H,14-15H2,1-3H3,(H,32,34).

What are the key properties of 1-(5-cyano-2-pyridinyl)-N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide?

1-(5-cyano-2-pyridinyl)-N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide has a molecular weight of 477.52 g/mol, XLogP of 4.78, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-cyano-2-pyridinyl)-N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide is sourced from PubChem (CID 146265772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).