6-methyl-N-[4-[(4-methylpyrazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]pyridine-3-carboxamide

C29H25F3N8O — CID 11956491

About 6-methyl-N-[4-[(4-methylpyrazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]pyridine-3-carboxamide

6-methyl-N-[4-[(4-methylpyrazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]pyridine-3-carboxamide (PubChem CID 11956491) has the molecular formula C29H25F3N8O and a molecular weight of 558.57 g/mol. Its IUPAC name is 6-methyl-N-[4-[(4-methylpyrazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-methyl-N-[4-[(4-methylpyrazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]pyridine-3-carboxamide
• PubChem CID: 11956491
• Molecular Formula: C29H25F3N8O
• Molecular Weight: 558.57 g/mol
• Exact Mass: 558.21
• IUPAC Name: 6-methyl-N-[4-[(4-methylpyrazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]pyridine-3-carboxamide
• SMILES: Cc1ncc(C(=O)Nc2ccc(CN3C=CN(C)C=C3)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cccnc2)n1
• InChI: InChI=1S/C29H25F3N8O/c1-19-26(38-28-34-9-7-25(37-28)20-4-3-8-33-16-20)14-22(17-35-19)27(41)36-23-6-5-21(24(15-23)29(30,31)32)18-40-12-10-39(2)11-13-40/h3-17H,18H2,1-2H3,(H,36,41)(H,34,37,38)
• InChIKey: RJGGCLZYPSROGZ-UHFFFAOYSA-N
• XLogP: 5.95
• TPSA: 99.17 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	558.57
LogP ≤ 5	5.95
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[4-[(4-methylpyrazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]pyridine-3-carboxamide?

The IUPAC name of 6-methyl-N-[4-[(4-methylpyrazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]pyridine-3-carboxamide (CID 11956491) is 6-methyl-N-[4-[(4-methylpyrazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]pyridine-3-carboxamide.

What is the SMILES notation for 6-methyl-N-[4-[(4-methylpyrazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]pyridine-3-carboxamide?

The canonical SMILES for 6-methyl-N-[4-[(4-methylpyrazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]pyridine-3-carboxamide is Cc1ncc(C(=O)Nc2ccc(CN3C=CN(C)C=C3)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cccnc2)n1.

What is the InChIKey of 6-methyl-N-[4-[(4-methylpyrazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]pyridine-3-carboxamide?

The InChIKey is RJGGCLZYPSROGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25F3N8O/c1-19-26(38-28-34-9-7-25(37-28)20-4-3-8-33-16-20)14-22(17-35-19)27(41)36-23-6-5-21(24(15-23)29(30,31)32)18-40-12-10-39(2)11-13-40/h3-17H,18H2,1-2H3,(H,36,41)(H,34,37,38).

What are the key properties of 6-methyl-N-[4-[(4-methylpyrazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]pyridine-3-carboxamide?

6-methyl-N-[4-[(4-methylpyrazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]pyridine-3-carboxamide has a molecular weight of 558.57 g/mol, XLogP of 5.95, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-methyl-N-[4-[(4-methylpyrazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 11956491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).