2-anilino-8-(4-ethylphenyl)-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;2-[3-(dimethylamino)anilino]-8-(4-ethylphenyl)-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-(4-ethylphenyl)-N-methoxy-5-oxo-2-(4-pyrrol-1-ylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide;8-(4-ethylphenyl)-N-methoxy-5-oxo-2-[4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxyanilino]pyrido[2,3-d]pyrimidine-6-carboxamide

C105H102F3N23O13 — CID 159625278

About 2-anilino-8-(4-ethylphenyl)-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;2-[3-(dimethylamino)anilino]-8-(4-ethylphenyl)-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-(4-ethylphenyl)-N-methoxy-5-oxo-2-(4-pyrrol-1-ylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide;8-(4-ethylphenyl)-N-methoxy-5-oxo-2-[4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxyanilino]pyrido[2,3-d]pyrimidine-6-carboxamide

2-anilino-8-(4-ethylphenyl)-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;2-[3-(dimethylamino)anilino]-8-(4-ethylphenyl)-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-(4-ethylphenyl)-N-methoxy-5-oxo-2-(4-pyrrol-1-ylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide;8-(4-ethylphenyl)-N-methoxy-5-oxo-2-[4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxyanilino]pyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 159625278) has the molecular formula C105H102F3N23O13 and a molecular weight of 1951.11 g/mol. Its IUPAC name is 2-anilino-8-(4-ethylphenyl)-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;2-[3-(dimethylamino)anilino]-8-(4-ethylphenyl)-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-(4-ethylphenyl)-N-methoxy-5-oxo-2-(4-pyrrol-1-ylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide;8-(4-ethylphenyl)-N-methoxy-5-oxo-2-[4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxyanilino]pyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: 2-anilino-8-(4-ethylphenyl)-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;2-[3-(dimethylamino)anilino]-8-(4-ethylphenyl)-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-(4-ethylphenyl)-N-methoxy-5-oxo-2-(4-pyrrol-1-ylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide;8-(4-ethylphenyl)-N-methoxy-5-oxo-2-[4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxyanilino]pyrido[2,3-d]pyrimidine-6-carboxamide
• PubChem CID: 159625278
• Molecular Formula: C105H102F3N23O13
• Molecular Weight: 1951.11 g/mol
• Exact Mass: 1949.80
• IUPAC Name: 2-anilino-8-(4-ethylphenyl)-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;2-[3-(dimethylamino)anilino]-8-(4-ethylphenyl)-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-(4-ethylphenyl)-N-methoxy-5-oxo-2-(4-pyrrol-1-ylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide;8-(4-ethylphenyl)-N-methoxy-5-oxo-2-[4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxyanilino]pyrido[2,3-d]pyrimidine-6-carboxamide
• SMILES: CCc1ccc(-n2cc(C(=O)NOC)c(=O)c3cnc(Nc4ccc(-n5cccc5)cc4)nc32)cc1.CCc1ccc(-n2cc(C(=O)NOC)c(=O)c3cnc(Nc4ccc(OC5CCN(CC(F)(F)F)CC5)cc4)nc32)cc1.CCc1ccc(-n2cc(C(=O)NOC)c(=O)c3cnc(Nc4cccc(N(C)C)c4)nc32)cc1.CCc1ccc(-n2cc(C(=O)NOC)c(=O)c3cnc(Nc4ccccc4)nc32)cc1
• InChI: InChI=1S/C30H31F3N6O4.C27H24N6O3.C25H26N6O3.C23H21N5O3/c1-3-19-4-8-21(9-5-19)39-17-25(28(41)37-42-2)26(40)24-16-34-29(36-27(24)39)35-20-6-10-22(11-7-20)43-23-12-14-38(15-13-23)18-30(31,32)33;1-3-18-6-10-21(11-7-18)33-17-23(26(35)31-36-2)24(34)22-16-28-27(30-25(22)33)29-19-8-12-20(13-9-19)32-14-4-5-15-32;1-5-16-9-11-18(12-10-16)31-15-21(24(33)29-34-4)22(32)20-14-26-25(28-23(20)31)27-17-7-6-8-19(13-17)30(2)3;1-3-15-9-11-17(12-10-15)28-14-19(22(30)27-31-2)20(29)18-13-24-23(26-21(18)28)25-16-7-5-4-6-8-16/h4-11,16-17,23H,3,12-15,18H2,1-2H3,(H,37,41)(H,34,35,36);4-17H,3H2,1-2H3,(H,31,35)(H,28,29,30);6-15H,5H2,1-4H3,(H,29,33)(H,26,27,28);4-14H,3H2,1-2H3,(H,27,30)(H,24,25,26)
• InChIKey: MOKHADANJDVNQP-UHFFFAOYSA-N
• XLogP: 15.77
• TPSA: 413.20 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 32
• Rotatable Bonds: 29
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1951.11
LogP ≤ 5	15.77
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-anilino-8-(4-ethylphenyl)-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;2-[3-(dimethylamino)anilino]-8-(4-ethylphenyl)-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-(4-ethylphenyl)-N-methoxy-5-oxo-2-(4-pyrrol-1-ylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide;8-(4-ethylphenyl)-N-methoxy-5-oxo-2-[4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxyanilino]pyrido[2,3-d]pyrimidine-6-carboxamide?

The IUPAC name of 2-anilino-8-(4-ethylphenyl)-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;2-[3-(dimethylamino)anilino]-8-(4-ethylphenyl)-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-(4-ethylphenyl)-N-methoxy-5-oxo-2-(4-pyrrol-1-ylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide;8-(4-ethylphenyl)-N-methoxy-5-oxo-2-[4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxyanilino]pyrido[2,3-d]pyrimidine-6-carboxamide (CID 159625278) is 2-anilino-8-(4-ethylphenyl)-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;2-[3-(dimethylamino)anilino]-8-(4-ethylphenyl)-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-(4-ethylphenyl)-N-methoxy-5-oxo-2-(4-pyrrol-1-ylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide;8-(4-ethylphenyl)-N-methoxy-5-oxo-2-[4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxyanilino]pyrido[2,3-d]pyrimidine-6-carboxamide.

What is the SMILES notation for 2-anilino-8-(4-ethylphenyl)-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;2-[3-(dimethylamino)anilino]-8-(4-ethylphenyl)-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-(4-ethylphenyl)-N-methoxy-5-oxo-2-(4-pyrrol-1-ylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide;8-(4-ethylphenyl)-N-methoxy-5-oxo-2-[4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxyanilino]pyrido[2,3-d]pyrimidine-6-carboxamide?

The canonical SMILES for 2-anilino-8-(4-ethylphenyl)-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;2-[3-(dimethylamino)anilino]-8-(4-ethylphenyl)-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-(4-ethylphenyl)-N-methoxy-5-oxo-2-(4-pyrrol-1-ylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide;8-(4-ethylphenyl)-N-methoxy-5-oxo-2-[4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxyanilino]pyrido[2,3-d]pyrimidine-6-carboxamide is CCc1ccc(-n2cc(C(=O)NOC)c(=O)c3cnc(Nc4ccc(-n5cccc5)cc4)nc32)cc1.CCc1ccc(-n2cc(C(=O)NOC)c(=O)c3cnc(Nc4ccc(OC5CCN(CC(F)(F)F)CC5)cc4)nc32)cc1.CCc1ccc(-n2cc(C(=O)NOC)c(=O)c3cnc(Nc4cccc(N(C)C)c4)nc32)cc1.CCc1ccc(-n2cc(C(=O)NOC)c(=O)c3cnc(Nc4ccccc4)nc32)cc1.

What is the InChIKey of 2-anilino-8-(4-ethylphenyl)-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;2-[3-(dimethylamino)anilino]-8-(4-ethylphenyl)-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-(4-ethylphenyl)-N-methoxy-5-oxo-2-(4-pyrrol-1-ylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide;8-(4-ethylphenyl)-N-methoxy-5-oxo-2-[4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxyanilino]pyrido[2,3-d]pyrimidine-6-carboxamide?

The InChIKey is MOKHADANJDVNQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31F3N6O4.C27H24N6O3.C25H26N6O3.C23H21N5O3/c1-3-19-4-8-21(9-5-19)39-17-25(28(41)37-42-2)26(40)24-16-34-29(36-27(24)39)35-20-6-10-22(11-7-20)43-23-12-14-38(15-13-23)18-30(31,32)33;1-3-18-6-10-21(11-7-18)33-17-23(26(35)31-36-2)24(34)22-16-28-27(30-25(22)33)29-19-8-12-20(13-9-19)32-14-4-5-15-32;1-5-16-9-11-18(12-10-16)31-15-21(24(33)29-34-4)22(32)20-14-26-25(28-23(20)31)27-17-7-6-8-19(13-17)30(2)3;1-3-15-9-11-17(12-10-15)28-14-19(22(30)27-31-2)20(29)18-13-24-23(26-21(18)28)25-16-7-5-4-6-8-16/h4-11,16-17,23H,3,12-15,18H2,1-2H3,(H,37,41)(H,34,35,36);4-17H,3H2,1-2H3,(H,31,35)(H,28,29,30);6-15H,5H2,1-4H3,(H,29,33)(H,26,27,28);4-14H,3H2,1-2H3,(H,27,30)(H,24,25,26).

What are the key properties of 2-anilino-8-(4-ethylphenyl)-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;2-[3-(dimethylamino)anilino]-8-(4-ethylphenyl)-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-(4-ethylphenyl)-N-methoxy-5-oxo-2-(4-pyrrol-1-ylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide;8-(4-ethylphenyl)-N-methoxy-5-oxo-2-[4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxyanilino]pyrido[2,3-d]pyrimidine-6-carboxamide?

2-anilino-8-(4-ethylphenyl)-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;2-[3-(dimethylamino)anilino]-8-(4-ethylphenyl)-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-(4-ethylphenyl)-N-methoxy-5-oxo-2-(4-pyrrol-1-ylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide;8-(4-ethylphenyl)-N-methoxy-5-oxo-2-[4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxyanilino]pyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 1951.11 g/mol, XLogP of 15.77, 29 rotatable bonds, 8 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 2-anilino-8-(4-ethylphenyl)-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;2-[3-(dimethylamino)anilino]-8-(4-ethylphenyl)-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-(4-ethylphenyl)-N-methoxy-5-oxo-2-(4-pyrrol-1-ylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide;8-(4-ethylphenyl)-N-methoxy-5-oxo-2-[4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxyanilino]pyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 159625278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).