6-bromo-N-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-amine;2-(3,4-dimethylphenyl)-1-(2-methyl-4-pyridinyl)ethanone;N-[3-[2-ethyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-6-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide

C49H40BrF9N10O2 — CID 161245169

About 6-bromo-N-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-amine;2-(3,4-dimethylphenyl)-1-(2-methyl-4-pyridinyl)ethanone;N-[3-[2-ethyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-6-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide

6-bromo-N-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-amine;2-(3,4-dimethylphenyl)-1-(2-methyl-4-pyridinyl)ethanone;N-[3-[2-ethyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-6-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide (PubChem CID 161245169) has the molecular formula C49H40BrF9N10O2 and a molecular weight of 1051.81 g/mol. Its IUPAC name is 6-bromo-N-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-amine;2-(3,4-dimethylphenyl)-1-(2-methyl-4-pyridinyl)ethanone;N-[3-[2-ethyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-6-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 6-bromo-N-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-amine;2-(3,4-dimethylphenyl)-1-(2-methyl-4-pyridinyl)ethanone;N-[3-[2-ethyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-6-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
• PubChem CID: 161245169
• Molecular Formula: C49H40BrF9N10O2
• Molecular Weight: 1051.81 g/mol
• Exact Mass: 1050.24
• IUPAC Name: 6-bromo-N-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-amine;2-(3,4-dimethylphenyl)-1-(2-methyl-4-pyridinyl)ethanone;N-[3-[2-ethyl-7-(trifluoromethyl)pyrido[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(C(F)(F)F)nc2n1.CNc1ncc2cc(Br)c(C(F)(F)F)nc2n1.Cc1cc(C(=O)Cc2ccc(C)c(C)c2)ccn1
• InChI: InChI=1S/C24H17F6N5O.C16H17NO.C9H6BrF3N4/c1-3-19-32-11-14-8-17(20(24(28,29)30)35-21(14)34-19)16-10-15(5-4-12(16)2)33-22(36)13-6-7-31-18(9-13)23(25,26)27;1-11-4-5-14(8-12(11)2)10-16(18)15-6-7-17-13(3)9-15;1-14-8-15-3-4-2-5(10)6(9(11,12)13)16-7(4)17-8/h4-11H,3H2,1-2H3,(H,33,36);4-9H,10H2,1-3H3;2-3H,1H3,(H,14,15,16,17)
• InChIKey: VANPPSUIFVSXLV-UHFFFAOYSA-N
• XLogP: 12.53
• TPSA: 161.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1051.81
LogP ≤ 5	12.53
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-amine;2-(3,4-dimethylphenyl)-1-(2-methyl-4-pyridinyl)ethanone;N-[3-[2-ethyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-6-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?

The IUPAC name of 6-bromo-N-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-amine;2-(3,4-dimethylphenyl)-1-(2-methyl-4-pyridinyl)ethanone;N-[3-[2-ethyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-6-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide (CID 161245169) is 6-bromo-N-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-amine;2-(3,4-dimethylphenyl)-1-(2-methyl-4-pyridinyl)ethanone;N-[3-[2-ethyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-6-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide.

What is the SMILES notation for 6-bromo-N-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-amine;2-(3,4-dimethylphenyl)-1-(2-methyl-4-pyridinyl)ethanone;N-[3-[2-ethyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-6-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?

The canonical SMILES for 6-bromo-N-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-amine;2-(3,4-dimethylphenyl)-1-(2-methyl-4-pyridinyl)ethanone;N-[3-[2-ethyl-7-(trifluoromethyl)pyrido[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(C(F)(F)F)nc2n1.CNc1ncc2cc(Br)c(C(F)(F)F)nc2n1.Cc1cc(C(=O)Cc2ccc(C)c(C)c2)ccn1.

What is the InChIKey of 6-bromo-N-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-amine;2-(3,4-dimethylphenyl)-1-(2-methyl-4-pyridinyl)ethanone;N-[3-[2-ethyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-6-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?

The InChIKey is VANPPSUIFVSXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F6N5O.C16H17NO.C9H6BrF3N4/c1-3-19-32-11-14-8-17(20(24(28,29)30)35-21(14)34-19)16-10-15(5-4-12(16)2)33-22(36)13-6-7-31-18(9-13)23(25,26)27;1-11-4-5-14(8-12(11)2)10-16(18)15-6-7-17-13(3)9-15;1-14-8-15-3-4-2-5(10)6(9(11,12)13)16-7(4)17-8/h4-11H,3H2,1-2H3,(H,33,36);4-9H,10H2,1-3H3;2-3H,1H3,(H,14,15,16,17).

What are the key properties of 6-bromo-N-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-amine;2-(3,4-dimethylphenyl)-1-(2-methyl-4-pyridinyl)ethanone;N-[3-[2-ethyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-6-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?

6-bromo-N-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-amine;2-(3,4-dimethylphenyl)-1-(2-methyl-4-pyridinyl)ethanone;N-[3-[2-ethyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-6-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide has a molecular weight of 1051.81 g/mol, XLogP of 12.53, 8 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-N-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-amine;2-(3,4-dimethylphenyl)-1-(2-methyl-4-pyridinyl)ethanone;N-[3-[2-ethyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-6-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide is sourced from PubChem (CID 161245169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).