5-[[[2-[5-amino-4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-3-fluoro-5-formyl-6-[1-(2-methylazetidin-2-yl)propan-2-yloxy]-4-pyridinyl]amino]methyl]-N,N-dimethylpyridine-2-carboxamide

C30H33F5N6O3 — CID 177333819

About 5-[[[2-[5-amino-4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-3-fluoro-5-formyl-6-[1-(2-methylazetidin-2-yl)propan-2-yloxy]-4-pyridinyl]amino]methyl]-N,N-dimethylpyridine-2-carboxamide

5-[[[2-[5-amino-4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-3-fluoro-5-formyl-6-[1-(2-methylazetidin-2-yl)propan-2-yloxy]-4-pyridinyl]amino]methyl]-N,N-dimethylpyridine-2-carboxamide (PubChem CID 177333819) has the molecular formula C30H33F5N6O3 and a molecular weight of 620.62 g/mol. Its IUPAC name is 5-[[[2-[5-amino-4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-3-fluoro-5-formyl-6-[1-(2-methylazetidin-2-yl)propan-2-yloxy]-4-pyridinyl]amino]methyl]-N,N-dimethylpyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-[[[2-[5-amino-4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-3-fluoro-5-formyl-6-[1-(2-methylazetidin-2-yl)propan-2-yloxy]-4-pyridinyl]amino]methyl]-N,N-dimethylpyridine-2-carboxamide
• PubChem CID: 177333819
• Molecular Formula: C30H33F5N6O3
• Molecular Weight: 620.62 g/mol
• Exact Mass: 620.25
• IUPAC Name: 5-[[[2-[5-amino-4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-3-fluoro-5-formyl-6-[1-(2-methylazetidin-2-yl)propan-2-yloxy]-4-pyridinyl]amino]methyl]-N,N-dimethylpyridine-2-carboxamide
• SMILES: Cc1c(F)c(N)cc(-c2nc(OC(C)CC3(C)CCN3)c(C=O)c(NCc3ccc(C(=O)N(C)C)nc3)c2F)c1C(F)(F)F
• InChI: InChI=1S/C30H33F5N6O3/c1-15(11-29(3)8-9-39-29)44-27-19(14-42)25(38-13-17-6-7-21(37-12-17)28(43)41(4)5)24(32)26(40-27)18-10-20(36)23(31)16(2)22(18)30(33,34)35/h6-7,10,12,14-15,39H,8-9,11,13,36H2,1-5H3,(H,38,40)
• InChIKey: WUDCBGZXNAXNLJ-UHFFFAOYSA-N
• XLogP: 5.37
• TPSA: 122.47 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	620.62
LogP ≤ 5	5.37
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[[[2-[5-amino-4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-3-fluoro-5-formyl-6-[1-(2-methylazetidin-2-yl)propan-2-yloxy]-4-pyridinyl]amino]methyl]-N,N-dimethylpyridine-2-carboxamide?

The IUPAC name of 5-[[[2-[5-amino-4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-3-fluoro-5-formyl-6-[1-(2-methylazetidin-2-yl)propan-2-yloxy]-4-pyridinyl]amino]methyl]-N,N-dimethylpyridine-2-carboxamide (CID 177333819) is 5-[[[2-[5-amino-4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-3-fluoro-5-formyl-6-[1-(2-methylazetidin-2-yl)propan-2-yloxy]-4-pyridinyl]amino]methyl]-N,N-dimethylpyridine-2-carboxamide.

What is the SMILES notation for 5-[[[2-[5-amino-4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-3-fluoro-5-formyl-6-[1-(2-methylazetidin-2-yl)propan-2-yloxy]-4-pyridinyl]amino]methyl]-N,N-dimethylpyridine-2-carboxamide?

The canonical SMILES for 5-[[[2-[5-amino-4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-3-fluoro-5-formyl-6-[1-(2-methylazetidin-2-yl)propan-2-yloxy]-4-pyridinyl]amino]methyl]-N,N-dimethylpyridine-2-carboxamide is Cc1c(F)c(N)cc(-c2nc(OC(C)CC3(C)CCN3)c(C=O)c(NCc3ccc(C(=O)N(C)C)nc3)c2F)c1C(F)(F)F.

What is the InChIKey of 5-[[[2-[5-amino-4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-3-fluoro-5-formyl-6-[1-(2-methylazetidin-2-yl)propan-2-yloxy]-4-pyridinyl]amino]methyl]-N,N-dimethylpyridine-2-carboxamide?

The InChIKey is WUDCBGZXNAXNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33F5N6O3/c1-15(11-29(3)8-9-39-29)44-27-19(14-42)25(38-13-17-6-7-21(37-12-17)28(43)41(4)5)24(32)26(40-27)18-10-20(36)23(31)16(2)22(18)30(33,34)35/h6-7,10,12,14-15,39H,8-9,11,13,36H2,1-5H3,(H,38,40).

What are the key properties of 5-[[[2-[5-amino-4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-3-fluoro-5-formyl-6-[1-(2-methylazetidin-2-yl)propan-2-yloxy]-4-pyridinyl]amino]methyl]-N,N-dimethylpyridine-2-carboxamide?

5-[[[2-[5-amino-4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-3-fluoro-5-formyl-6-[1-(2-methylazetidin-2-yl)propan-2-yloxy]-4-pyridinyl]amino]methyl]-N,N-dimethylpyridine-2-carboxamide has a molecular weight of 620.62 g/mol, XLogP of 5.37, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[[2-[5-amino-4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-3-fluoro-5-formyl-6-[1-(2-methylazetidin-2-yl)propan-2-yloxy]-4-pyridinyl]amino]methyl]-N,N-dimethylpyridine-2-carboxamide is sourced from PubChem (CID 177333819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).