N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(1-methylimidazol-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]methyl]azetidine-1-carboxamide

C41H41F5N12O2S — CID 159840244

About N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(1-methylimidazol-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]methyl]azetidine-1-carboxamide

N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(1-methylimidazol-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]methyl]azetidine-1-carboxamide (PubChem CID 159840244) has the molecular formula C41H41F5N12O2S and a molecular weight of 860.92 g/mol. Its IUPAC name is N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(1-methylimidazol-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]methyl]azetidine-1-carboxamide.

Molecular Properties

• Compound Name: N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(1-methylimidazol-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]methyl]azetidine-1-carboxamide
• PubChem CID: 159840244
• Molecular Formula: C41H41F5N12O2S
• Molecular Weight: 860.92 g/mol
• Exact Mass: 860.31
• IUPAC Name: N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(1-methylimidazol-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]methyl]azetidine-1-carboxamide
• SMILES: Cc1cc(F)ccc1-c1ccc(N)c(NC(=O)N2CC(Cc3nccn3C)C2)n1.Cc1cc(F)ccc1-c1ccc(N)c(NC(=O)N2CC(Cc3nnc(C(F)(F)F)s3)C2)n1
• InChI: InChI=1S/C21H23FN6O.C20H18F4N6OS/c1-13-9-15(22)3-4-16(13)18-6-5-17(23)20(25-18)26-21(29)28-11-14(12-28)10-19-24-7-8-27(19)2;1-10-6-12(21)2-3-13(10)15-5-4-14(25)17(26-15)27-19(31)30-8-11(9-30)7-16-28-29-18(32-16)20(22,23)24/h3-9,14H,10-12,23H2,1-2H3,(H,25,26,29);2-6,11H,7-9,25H2,1H3,(H,26,27,31)
• InChIKey: NOOWPUGGGAZMBA-UHFFFAOYSA-N
• XLogP: 7.57
• TPSA: 186.10 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	860.92
LogP ≤ 5	7.57
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(1-methylimidazol-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]methyl]azetidine-1-carboxamide?

The IUPAC name of N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(1-methylimidazol-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]methyl]azetidine-1-carboxamide (CID 159840244) is N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(1-methylimidazol-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]methyl]azetidine-1-carboxamide.

What is the SMILES notation for N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(1-methylimidazol-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]methyl]azetidine-1-carboxamide?

The canonical SMILES for N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(1-methylimidazol-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]methyl]azetidine-1-carboxamide is Cc1cc(F)ccc1-c1ccc(N)c(NC(=O)N2CC(Cc3nccn3C)C2)n1.Cc1cc(F)ccc1-c1ccc(N)c(NC(=O)N2CC(Cc3nnc(C(F)(F)F)s3)C2)n1.

What is the InChIKey of N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(1-methylimidazol-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]methyl]azetidine-1-carboxamide?

The InChIKey is NOOWPUGGGAZMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN6O.C20H18F4N6OS/c1-13-9-15(22)3-4-16(13)18-6-5-17(23)20(25-18)26-21(29)28-11-14(12-28)10-19-24-7-8-27(19)2;1-10-6-12(21)2-3-13(10)15-5-4-14(25)17(26-15)27-19(31)30-8-11(9-30)7-16-28-29-18(32-16)20(22,23)24/h3-9,14H,10-12,23H2,1-2H3,(H,25,26,29);2-6,11H,7-9,25H2,1H3,(H,26,27,31).

What are the key properties of N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(1-methylimidazol-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]methyl]azetidine-1-carboxamide?

N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(1-methylimidazol-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]methyl]azetidine-1-carboxamide has a molecular weight of 860.92 g/mol, XLogP of 7.57, 8 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(1-methylimidazol-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]methyl]azetidine-1-carboxamide is sourced from PubChem (CID 159840244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).