3-(2-ethyl-7-methylpyrido[2,3-d]pyrimidin-6-yl)-4-methylaniline;N-[3-(2-ethyl-7-methylpyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-5-(trifluoromethyl)pyridine-3-carboxamide;5-(trifluoromethyl)pyridine-3-carboxylic acid

C48H42F6N10O3 — CID 159915911

About 3-(2-ethyl-7-methylpyrido[2,3-d]pyrimidin-6-yl)-4-methylaniline;N-[3-(2-ethyl-7-methylpyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-5-(trifluoromethyl)pyridine-3-carboxamide;5-(trifluoromethyl)pyridine-3-carboxylic acid

3-(2-ethyl-7-methylpyrido[2,3-d]pyrimidin-6-yl)-4-methylaniline;N-[3-(2-ethyl-7-methylpyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-5-(trifluoromethyl)pyridine-3-carboxamide;5-(trifluoromethyl)pyridine-3-carboxylic acid (PubChem CID 159915911) has the molecular formula C48H42F6N10O3 and a molecular weight of 920.92 g/mol. Its IUPAC name is 3-(2-ethyl-7-methylpyrido[2,3-d]pyrimidin-6-yl)-4-methylaniline;N-[3-(2-ethyl-7-methylpyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-5-(trifluoromethyl)pyridine-3-carboxamide;5-(trifluoromethyl)pyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 3-(2-ethyl-7-methylpyrido[2,3-d]pyrimidin-6-yl)-4-methylaniline;N-[3-(2-ethyl-7-methylpyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-5-(trifluoromethyl)pyridine-3-carboxamide;5-(trifluoromethyl)pyridine-3-carboxylic acid
• PubChem CID: 159915911
• Molecular Formula: C48H42F6N10O3
• Molecular Weight: 920.92 g/mol
• Exact Mass: 920.33
• IUPAC Name: 3-(2-ethyl-7-methylpyrido[2,3-d]pyrimidin-6-yl)-4-methylaniline;N-[3-(2-ethyl-7-methylpyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-5-(trifluoromethyl)pyridine-3-carboxamide;5-(trifluoromethyl)pyridine-3-carboxylic acid
• SMILES: CCc1ncc2cc(-c3cc(N)ccc3C)c(C)nc2n1.CCc1ncc2cc(-c3cc(NC(=O)c4cncc(C(F)(F)F)c4)ccc3C)c(C)nc2n1.O=C(O)c1cncc(C(F)(F)F)c1
• InChI: InChI=1S/C24H20F3N5O.C17H18N4.C7H4F3NO2/c1-4-21-29-11-15-8-20(14(3)30-22(15)32-21)19-9-18(6-5-13(19)2)31-23(33)16-7-17(12-28-10-16)24(25,26)27;1-4-16-19-9-12-7-15(11(3)20-17(12)21-16)14-8-13(18)6-5-10(14)2;8-7(9,10)5-1-4(6(12)13)2-11-3-5/h5-12H,4H2,1-3H3,(H,31,33);5-9H,4,18H2,1-3H3;1-3H,(H,12,13)
• InChIKey: NXTUNFZMLYMOJU-UHFFFAOYSA-N
• XLogP: 10.79
• TPSA: 195.54 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	920.92
LogP ≤ 5	10.79
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethyl-7-methylpyrido[2,3-d]pyrimidin-6-yl)-4-methylaniline;N-[3-(2-ethyl-7-methylpyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-5-(trifluoromethyl)pyridine-3-carboxamide;5-(trifluoromethyl)pyridine-3-carboxylic acid?

The IUPAC name of 3-(2-ethyl-7-methylpyrido[2,3-d]pyrimidin-6-yl)-4-methylaniline;N-[3-(2-ethyl-7-methylpyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-5-(trifluoromethyl)pyridine-3-carboxamide;5-(trifluoromethyl)pyridine-3-carboxylic acid (CID 159915911) is 3-(2-ethyl-7-methylpyrido[2,3-d]pyrimidin-6-yl)-4-methylaniline;N-[3-(2-ethyl-7-methylpyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-5-(trifluoromethyl)pyridine-3-carboxamide;5-(trifluoromethyl)pyridine-3-carboxylic acid.

What is the SMILES notation for 3-(2-ethyl-7-methylpyrido[2,3-d]pyrimidin-6-yl)-4-methylaniline;N-[3-(2-ethyl-7-methylpyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-5-(trifluoromethyl)pyridine-3-carboxamide;5-(trifluoromethyl)pyridine-3-carboxylic acid?

The canonical SMILES for 3-(2-ethyl-7-methylpyrido[2,3-d]pyrimidin-6-yl)-4-methylaniline;N-[3-(2-ethyl-7-methylpyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-5-(trifluoromethyl)pyridine-3-carboxamide;5-(trifluoromethyl)pyridine-3-carboxylic acid is CCc1ncc2cc(-c3cc(N)ccc3C)c(C)nc2n1.CCc1ncc2cc(-c3cc(NC(=O)c4cncc(C(F)(F)F)c4)ccc3C)c(C)nc2n1.O=C(O)c1cncc(C(F)(F)F)c1.

What is the InChIKey of 3-(2-ethyl-7-methylpyrido[2,3-d]pyrimidin-6-yl)-4-methylaniline;N-[3-(2-ethyl-7-methylpyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-5-(trifluoromethyl)pyridine-3-carboxamide;5-(trifluoromethyl)pyridine-3-carboxylic acid?

The InChIKey is NXTUNFZMLYMOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N5O.C17H18N4.C7H4F3NO2/c1-4-21-29-11-15-8-20(14(3)30-22(15)32-21)19-9-18(6-5-13(19)2)31-23(33)16-7-17(12-28-10-16)24(25,26)27;1-4-16-19-9-12-7-15(11(3)20-17(12)21-16)14-8-13(18)6-5-10(14)2;8-7(9,10)5-1-4(6(12)13)2-11-3-5/h5-12H,4H2,1-3H3,(H,31,33);5-9H,4,18H2,1-3H3;1-3H,(H,12,13).

What are the key properties of 3-(2-ethyl-7-methylpyrido[2,3-d]pyrimidin-6-yl)-4-methylaniline;N-[3-(2-ethyl-7-methylpyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-5-(trifluoromethyl)pyridine-3-carboxamide;5-(trifluoromethyl)pyridine-3-carboxylic acid?

3-(2-ethyl-7-methylpyrido[2,3-d]pyrimidin-6-yl)-4-methylaniline;N-[3-(2-ethyl-7-methylpyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-5-(trifluoromethyl)pyridine-3-carboxamide;5-(trifluoromethyl)pyridine-3-carboxylic acid has a molecular weight of 920.92 g/mol, XLogP of 10.79, 7 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-ethyl-7-methylpyrido[2,3-d]pyrimidin-6-yl)-4-methylaniline;N-[3-(2-ethyl-7-methylpyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-5-(trifluoromethyl)pyridine-3-carboxamide;5-(trifluoromethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 159915911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).