N-[3-(7-chloro-2-ethylpyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-(2-ethyl-7-methoxypyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide

C47H37ClF6N10O3 — CID 158295516

About N-[3-(7-chloro-2-ethylpyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-(2-ethyl-7-methoxypyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide

N-[3-(7-chloro-2-ethylpyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-(2-ethyl-7-methoxypyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide (PubChem CID 158295516) has the molecular formula C47H37ClF6N10O3 and a molecular weight of 939.32 g/mol. Its IUPAC name is N-[3-(7-chloro-2-ethylpyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-(2-ethyl-7-methoxypyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[3-(7-chloro-2-ethylpyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-(2-ethyl-7-methoxypyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
• PubChem CID: 158295516
• Molecular Formula: C47H37ClF6N10O3
• Molecular Weight: 939.32 g/mol
• Exact Mass: 938.26
• IUPAC Name: N-[3-(7-chloro-2-ethylpyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-(2-ethyl-7-methoxypyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
• SMILES: CCc1ncc2cc(-c3cc(NC(=O)c4ccnc(C(F)(F)F)c4)ccc3C)c(Cl)nc2n1.CCc1ncc2cc(-c3cc(NC(=O)c4ccnc(C(F)(F)F)c4)ccc3C)c(OC)nc2n1
• InChI: InChI=1S/C24H20F3N5O2.C23H17ClF3N5O/c1-4-20-29-12-15-9-18(23(34-3)32-21(15)31-20)17-11-16(6-5-13(17)2)30-22(33)14-7-8-28-19(10-14)24(25,26)27;1-3-19-29-11-14-8-17(20(24)32-21(14)31-19)16-10-15(5-4-12(16)2)30-22(33)13-6-7-28-18(9-13)23(25,26)27/h5-12H,4H2,1-3H3,(H,30,33);4-11H,3H2,1-2H3,(H,30,33)
• InChIKey: GLWBJLKLIYPBMJ-UHFFFAOYSA-N
• XLogP: 11.12
• TPSA: 170.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	939.32
LogP ≤ 5	11.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-(7-chloro-2-ethylpyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-(2-ethyl-7-methoxypyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?

The IUPAC name of N-[3-(7-chloro-2-ethylpyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-(2-ethyl-7-methoxypyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide (CID 158295516) is N-[3-(7-chloro-2-ethylpyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-(2-ethyl-7-methoxypyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide.

What is the SMILES notation for N-[3-(7-chloro-2-ethylpyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-(2-ethyl-7-methoxypyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?

The canonical SMILES for N-[3-(7-chloro-2-ethylpyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-(2-ethyl-7-methoxypyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide is CCc1ncc2cc(-c3cc(NC(=O)c4ccnc(C(F)(F)F)c4)ccc3C)c(Cl)nc2n1.CCc1ncc2cc(-c3cc(NC(=O)c4ccnc(C(F)(F)F)c4)ccc3C)c(OC)nc2n1.

What is the InChIKey of N-[3-(7-chloro-2-ethylpyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-(2-ethyl-7-methoxypyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?

The InChIKey is GLWBJLKLIYPBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N5O2.C23H17ClF3N5O/c1-4-20-29-12-15-9-18(23(34-3)32-21(15)31-20)17-11-16(6-5-13(17)2)30-22(33)14-7-8-28-19(10-14)24(25,26)27;1-3-19-29-11-14-8-17(20(24)32-21(14)31-19)16-10-15(5-4-12(16)2)30-22(33)13-6-7-28-18(9-13)23(25,26)27/h5-12H,4H2,1-3H3,(H,30,33);4-11H,3H2,1-2H3,(H,30,33).

What are the key properties of N-[3-(7-chloro-2-ethylpyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-(2-ethyl-7-methoxypyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?

N-[3-(7-chloro-2-ethylpyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-(2-ethyl-7-methoxypyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide has a molecular weight of 939.32 g/mol, XLogP of 11.12, 9 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(7-chloro-2-ethylpyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-(2-ethyl-7-methoxypyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide is sourced from PubChem (CID 158295516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).