4-(3-chloro-2,5-dioxopyrrol-1-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-(3,4-dichloro-2,5-dioxopyrrol-1-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-(3-methyl-2,5-dioxopyrrol-1-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide

C111H83Cl3N24O12 — CID 159181868

About 4-(3-chloro-2,5-dioxopyrrol-1-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-(3,4-dichloro-2,5-dioxopyrrol-1-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-(3-methyl-2,5-dioxopyrrol-1-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide

4-(3-chloro-2,5-dioxopyrrol-1-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-(3,4-dichloro-2,5-dioxopyrrol-1-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-(3-methyl-2,5-dioxopyrrol-1-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide (PubChem CID 159181868) has the molecular formula C111H83Cl3N24O12 and a molecular weight of 2051.40 g/mol. Its IUPAC name is 4-(3-chloro-2,5-dioxopyrrol-1-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-(3,4-dichloro-2,5-dioxopyrrol-1-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-(3-methyl-2,5-dioxopyrrol-1-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide.

Molecular Properties

• Compound Name: 4-(3-chloro-2,5-dioxopyrrol-1-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-(3,4-dichloro-2,5-dioxopyrrol-1-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-(3-methyl-2,5-dioxopyrrol-1-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide
• PubChem CID: 159181868
• Molecular Formula: C111H83Cl3N24O12
• Molecular Weight: 2051.40 g/mol
• Exact Mass: 2048.57
• IUPAC Name: 4-(3-chloro-2,5-dioxopyrrol-1-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-(3,4-dichloro-2,5-dioxopyrrol-1-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-(3-methyl-2,5-dioxopyrrol-1-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide
• SMILES: CC1=C(C)C(=O)N(c2ccc(C(=O)Nc3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc2)C1=O.CC1=CC(=O)N(c2ccc(C(=O)Nc3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc2)C1=O.Cc1ccc(NC(=O)c2ccc(N3C(=O)C(Cl)=C(Cl)C3=O)cc2)cc1Nc1nccc(-c2cccnc2)n1.Cc1ccc(NC(=O)c2ccc(N3C(=O)C=C(Cl)C3=O)cc2)cc1Nc1nccc(-c2cccnc2)n1
• InChI: InChI=1S/C29H24N6O3.C28H22N6O3.C27H18Cl2N6O3.C27H19ClN6O3/c1-17-6-9-22(15-25(17)34-29-31-14-12-24(33-29)21-5-4-13-30-16-21)32-26(36)20-7-10-23(11-8-20)35-27(37)18(2)19(3)28(35)38;1-17-5-8-21(15-24(17)33-28-30-13-11-23(32-28)20-4-3-12-29-16-20)31-26(36)19-6-9-22(10-7-19)34-25(35)14-18(2)27(34)37;1-15-4-7-18(13-21(15)34-27-31-12-10-20(33-27)17-3-2-11-30-14-17)32-24(36)16-5-8-19(9-6-16)35-25(37)22(28)23(29)26(35)38;1-16-4-7-19(13-23(16)33-27-30-12-10-22(32-27)18-3-2-11-29-15-18)31-25(36)17-5-8-20(9-6-17)34-24(35)14-21(28)26(34)37/h4-16H,1-3H3,(H,32,36)(H,31,33,34);3-16H,1-2H3,(H,31,36)(H,30,32,33);2-14H,1H3,(H,32,36)(H,31,33,34);2-15H,1H3,(H,31,36)(H,30,32,33)
• InChIKey: KMZPQSKPCXDQKH-UHFFFAOYSA-N
• XLogP: 19.96
• TPSA: 468.72 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 28
• Rotatable Bonds: 24
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2051.40
LogP ≤ 5	19.96
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2,5-dioxopyrrol-1-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-(3,4-dichloro-2,5-dioxopyrrol-1-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-(3-methyl-2,5-dioxopyrrol-1-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide?

The IUPAC name of 4-(3-chloro-2,5-dioxopyrrol-1-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-(3,4-dichloro-2,5-dioxopyrrol-1-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-(3-methyl-2,5-dioxopyrrol-1-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide (CID 159181868) is 4-(3-chloro-2,5-dioxopyrrol-1-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-(3,4-dichloro-2,5-dioxopyrrol-1-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-(3-methyl-2,5-dioxopyrrol-1-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide.

What is the SMILES notation for 4-(3-chloro-2,5-dioxopyrrol-1-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-(3,4-dichloro-2,5-dioxopyrrol-1-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-(3-methyl-2,5-dioxopyrrol-1-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide?

The canonical SMILES for 4-(3-chloro-2,5-dioxopyrrol-1-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-(3,4-dichloro-2,5-dioxopyrrol-1-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-(3-methyl-2,5-dioxopyrrol-1-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide is CC1=C(C)C(=O)N(c2ccc(C(=O)Nc3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc2)C1=O.CC1=CC(=O)N(c2ccc(C(=O)Nc3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc2)C1=O.Cc1ccc(NC(=O)c2ccc(N3C(=O)C(Cl)=C(Cl)C3=O)cc2)cc1Nc1nccc(-c2cccnc2)n1.Cc1ccc(NC(=O)c2ccc(N3C(=O)C=C(Cl)C3=O)cc2)cc1Nc1nccc(-c2cccnc2)n1.

What is the InChIKey of 4-(3-chloro-2,5-dioxopyrrol-1-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-(3,4-dichloro-2,5-dioxopyrrol-1-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-(3-methyl-2,5-dioxopyrrol-1-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide?

The InChIKey is KMZPQSKPCXDQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N6O3.C28H22N6O3.C27H18Cl2N6O3.C27H19ClN6O3/c1-17-6-9-22(15-25(17)34-29-31-14-12-24(33-29)21-5-4-13-30-16-21)32-26(36)20-7-10-23(11-8-20)35-27(37)18(2)19(3)28(35)38;1-17-5-8-21(15-24(17)33-28-30-13-11-23(32-28)20-4-3-12-29-16-20)31-26(36)19-6-9-22(10-7-19)34-25(35)14-18(2)27(34)37;1-15-4-7-18(13-21(15)34-27-31-12-10-20(33-27)17-3-2-11-30-14-17)32-24(36)16-5-8-19(9-6-16)35-25(37)22(28)23(29)26(35)38;1-16-4-7-19(13-23(16)33-27-30-12-10-22(32-27)18-3-2-11-29-15-18)31-25(36)17-5-8-20(9-6-17)34-24(35)14-21(28)26(34)37/h4-16H,1-3H3,(H,32,36)(H,31,33,34);3-16H,1-2H3,(H,31,36)(H,30,32,33);2-14H,1H3,(H,32,36)(H,31,33,34);2-15H,1H3,(H,31,36)(H,30,32,33).

What are the key properties of 4-(3-chloro-2,5-dioxopyrrol-1-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-(3,4-dichloro-2,5-dioxopyrrol-1-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-(3-methyl-2,5-dioxopyrrol-1-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide?

4-(3-chloro-2,5-dioxopyrrol-1-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-(3,4-dichloro-2,5-dioxopyrrol-1-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-(3-methyl-2,5-dioxopyrrol-1-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide has a molecular weight of 2051.40 g/mol, XLogP of 19.96, 24 rotatable bonds, 8 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3-chloro-2,5-dioxopyrrol-1-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-(3,4-dichloro-2,5-dioxopyrrol-1-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-(3-methyl-2,5-dioxopyrrol-1-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide is sourced from PubChem (CID 159181868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).