N,N-dimethyl-6-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]pyridine-2-carboxamide;2-[3-[2-(4-ethyl-3,5-dimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]-N-propylacetamide;7-(4-methyl-3-nitrophenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;7-(2-pyridin-4-ylethyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzonitrile

C116H118N26O18 — CID 159299020

About N,N-dimethyl-6-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]pyridine-2-carboxamide;2-[3-[2-(4-ethyl-3,5-dimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]-N-propylacetamide;7-(4-methyl-3-nitrophenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;7-(2-pyridin-4-ylethyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzonitrile

N,N-dimethyl-6-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]pyridine-2-carboxamide;2-[3-[2-(4-ethyl-3,5-dimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]-N-propylacetamide;7-(4-methyl-3-nitrophenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;7-(2-pyridin-4-ylethyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzonitrile (PubChem CID 159299020) has the molecular formula C116H118N26O18 and a molecular weight of 2164.38 g/mol. Its IUPAC name is N,N-dimethyl-6-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]pyridine-2-carboxamide;2-[3-[2-(4-ethyl-3,5-dimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]-N-propylacetamide;7-(4-methyl-3-nitrophenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;7-(2-pyridin-4-ylethyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzonitrile.

Molecular Properties

• Compound Name: N,N-dimethyl-6-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]pyridine-2-carboxamide;2-[3-[2-(4-ethyl-3,5-dimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]-N-propylacetamide;7-(4-methyl-3-nitrophenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;7-(2-pyridin-4-ylethyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzonitrile
• PubChem CID: 159299020
• Molecular Formula: C116H118N26O18
• Molecular Weight: 2164.38 g/mol
• Exact Mass: 2162.91
• IUPAC Name: N,N-dimethyl-6-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]pyridine-2-carboxamide;2-[3-[2-(4-ethyl-3,5-dimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]-N-propylacetamide;7-(4-methyl-3-nitrophenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;7-(2-pyridin-4-ylethyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzonitrile
• SMILES: CCCNC(=O)Cc1cccc(-n2ccc3cnc(Nc4cc(OC)c(CC)c(OC)c4)nc32)c1.COc1cc(Nc2ncc3ccn(-c4ccc(C)c([N+](=O)[O-])c4)c3n2)cc(OC)c1OC.COc1cc(Nc2ncc3ccn(-c4cccc(C#N)c4)c3n2)cc(OC)c1OC.COc1cc(Nc2ncc3ccn(-c4cccc(C(=O)N(C)C)n4)c3n2)cc(OC)c1OC.COc1cc(Nc2ncc3ccn(CCc4ccncc4)c3n2)cc(OC)c1OC
• InChI: InChI=1S/C27H31N5O3.C23H24N6O4.C22H21N5O5.C22H23N5O3.C22H19N5O3/c1-5-11-28-25(33)14-18-8-7-9-21(13-18)32-12-10-19-17-29-27(31-26(19)32)30-20-15-23(34-3)22(6-2)24(16-20)35-4;1-28(2)22(30)16-7-6-8-19(26-16)29-10-9-14-13-24-23(27-21(14)29)25-15-11-17(31-3)20(33-5)18(12-15)32-4;1-13-5-6-16(11-17(13)27(28)29)26-8-7-14-12-23-22(25-21(14)26)24-15-9-18(30-2)20(32-4)19(10-15)31-3;1-28-18-12-17(13-19(29-2)20(18)30-3)25-22-24-14-16-7-11-27(21(16)26-22)10-6-15-4-8-23-9-5-15;1-28-18-10-16(11-19(29-2)20(18)30-3)25-22-24-13-15-7-8-27(21(15)26-22)17-6-4-5-14(9-17)12-23/h7-10,12-13,15-17H,5-6,11,14H2,1-4H3,(H,28,33)(H,29,30,31);6-13H,1-5H3,(H,24,25,27);5-12H,1-4H3,(H,23,24,25);4-5,7-9,11-14H,6,10H2,1-3H3,(H,24,25,26);4-11,13H,1-3H3,(H,24,25,26)
• InChIKey: LBBZXWWZPZVDHW-UHFFFAOYSA-N
• XLogP: 20.41
• TPSA: 485.04 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 41
• Rotatable Bonds: 38
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2164.38
LogP ≤ 5	20.41
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]pyridine-2-carboxamide;2-[3-[2-(4-ethyl-3,5-dimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]-N-propylacetamide;7-(4-methyl-3-nitrophenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;7-(2-pyridin-4-ylethyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzonitrile?

The IUPAC name of N,N-dimethyl-6-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]pyridine-2-carboxamide;2-[3-[2-(4-ethyl-3,5-dimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]-N-propylacetamide;7-(4-methyl-3-nitrophenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;7-(2-pyridin-4-ylethyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzonitrile (CID 159299020) is N,N-dimethyl-6-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]pyridine-2-carboxamide;2-[3-[2-(4-ethyl-3,5-dimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]-N-propylacetamide;7-(4-methyl-3-nitrophenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;7-(2-pyridin-4-ylethyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzonitrile.

What is the SMILES notation for N,N-dimethyl-6-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]pyridine-2-carboxamide;2-[3-[2-(4-ethyl-3,5-dimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]-N-propylacetamide;7-(4-methyl-3-nitrophenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;7-(2-pyridin-4-ylethyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzonitrile?

The canonical SMILES for N,N-dimethyl-6-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]pyridine-2-carboxamide;2-[3-[2-(4-ethyl-3,5-dimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]-N-propylacetamide;7-(4-methyl-3-nitrophenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;7-(2-pyridin-4-ylethyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzonitrile is CCCNC(=O)Cc1cccc(-n2ccc3cnc(Nc4cc(OC)c(CC)c(OC)c4)nc32)c1.COc1cc(Nc2ncc3ccn(-c4ccc(C)c([N+](=O)[O-])c4)c3n2)cc(OC)c1OC.COc1cc(Nc2ncc3ccn(-c4cccc(C#N)c4)c3n2)cc(OC)c1OC.COc1cc(Nc2ncc3ccn(-c4cccc(C(=O)N(C)C)n4)c3n2)cc(OC)c1OC.COc1cc(Nc2ncc3ccn(CCc4ccncc4)c3n2)cc(OC)c1OC.

What is the InChIKey of N,N-dimethyl-6-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]pyridine-2-carboxamide;2-[3-[2-(4-ethyl-3,5-dimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]-N-propylacetamide;7-(4-methyl-3-nitrophenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;7-(2-pyridin-4-ylethyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzonitrile?

The InChIKey is LBBZXWWZPZVDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N5O3.C23H24N6O4.C22H21N5O5.C22H23N5O3.C22H19N5O3/c1-5-11-28-25(33)14-18-8-7-9-21(13-18)32-12-10-19-17-29-27(31-26(19)32)30-20-15-23(34-3)22(6-2)24(16-20)35-4;1-28(2)22(30)16-7-6-8-19(26-16)29-10-9-14-13-24-23(27-21(14)29)25-15-11-17(31-3)20(33-5)18(12-15)32-4;1-13-5-6-16(11-17(13)27(28)29)26-8-7-14-12-23-22(25-21(14)26)24-15-9-18(30-2)20(32-4)19(10-15)31-3;1-28-18-12-17(13-19(29-2)20(18)30-3)25-22-24-14-16-7-11-27(21(16)26-22)10-6-15-4-8-23-9-5-15;1-28-18-10-16(11-19(29-2)20(18)30-3)25-22-24-13-15-7-8-27(21(15)26-22)17-6-4-5-14(9-17)12-23/h7-10,12-13,15-17H,5-6,11,14H2,1-4H3,(H,28,33)(H,29,30,31);6-13H,1-5H3,(H,24,25,27);5-12H,1-4H3,(H,23,24,25);4-5,7-9,11-14H,6,10H2,1-3H3,(H,24,25,26);4-11,13H,1-3H3,(H,24,25,26).

What are the key properties of N,N-dimethyl-6-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]pyridine-2-carboxamide;2-[3-[2-(4-ethyl-3,5-dimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]-N-propylacetamide;7-(4-methyl-3-nitrophenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;7-(2-pyridin-4-ylethyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzonitrile?

N,N-dimethyl-6-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]pyridine-2-carboxamide;2-[3-[2-(4-ethyl-3,5-dimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]-N-propylacetamide;7-(4-methyl-3-nitrophenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;7-(2-pyridin-4-ylethyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzonitrile has a molecular weight of 2164.38 g/mol, XLogP of 20.41, 38 rotatable bonds, 6 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-6-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]pyridine-2-carboxamide;2-[3-[2-(4-ethyl-3,5-dimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]-N-propylacetamide;7-(4-methyl-3-nitrophenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;7-(2-pyridin-4-ylethyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzonitrile is sourced from PubChem (CID 159299020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).