N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-1-[(2R)-2,3-dihydroxypropyl]-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide

C23H29F2N3O4 — CID 146265685

About N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-1-[(2R)-2,3-dihydroxypropyl]-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide

N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-1-[(2R)-2,3-dihydroxypropyl]-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide (PubChem CID 146265685) has the molecular formula C23H29F2N3O4 and a molecular weight of 449.50 g/mol. Its IUPAC name is N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-1-[(2R)-2,3-dihydroxypropyl]-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-1-[(2R)-2,3-dihydroxypropyl]-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide
• PubChem CID: 146265685
• Molecular Formula: C23H29F2N3O4
• Molecular Weight: 449.50 g/mol
• Exact Mass: 449.21
• IUPAC Name: N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-1-[(2R)-2,3-dihydroxypropyl]-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide
• SMILES: Cc1ccc(NC(=O)C2(c3ccccc3C(C)C)CN(C[C@@H](O)CO)C2)c(OC(F)F)n1
• InChI: InChI=1S/C23H29F2N3O4/c1-14(2)17-6-4-5-7-18(17)23(12-28(13-23)10-16(30)11-29)21(31)27-19-9-8-15(3)26-20(19)32-22(24)25/h4-9,14,16,22,29-30H,10-13H2,1-3H3,(H,27,31)/t16-/m1/s1
• InChIKey: BYPQSCXMSKGEAU-MRXNPFEDSA-N
• XLogP: 2.66
• TPSA: 94.92 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	449.50
LogP ≤ 5	2.66
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-1-[(2R)-2,3-dihydroxypropyl]-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide (CID 146265685) is N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-1-[(2R)-2,3-dihydroxypropyl]-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide.

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

The canonical SMILES for N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-1-[(2R)-2,3-dihydroxypropyl]-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide is Cc1ccc(NC(=O)C2(c3ccccc3C(C)C)CN(C[C@@H](O)CO)C2)c(OC(F)F)n1.

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

The InChIKey is BYPQSCXMSKGEAU-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H29F2N3O4/c1-14(2)17-6-4-5-7-18(17)23(12-28(13-23)10-16(30)11-29)21(31)27-19-9-8-15(3)26-20(19)32-22(24)25/h4-9,14,16,22,29-30H,10-13H2,1-3H3,(H,27,31)/t16-/m1/s1.

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

N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-1-[(2R)-2,3-dihydroxypropyl]-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide has a molecular weight of 449.50 g/mol, XLogP of 2.66, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-1-[(2R)-2,3-dihydroxypropyl]-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide is sourced from PubChem (CID 146265685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).