4-[[6-(2,6-dichlorophenyl)-8-methoxy-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-N-(2-hydroxyethyl)-N,1-dimethylpyrrole-2-carboxamide

C23H22Cl2N6O4 — CID 58395712

About 4-[[6-(2,6-dichlorophenyl)-8-methoxy-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-N-(2-hydroxyethyl)-N,1-dimethylpyrrole-2-carboxamide

4-[[6-(2,6-dichlorophenyl)-8-methoxy-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-N-(2-hydroxyethyl)-N,1-dimethylpyrrole-2-carboxamide (PubChem CID 58395712) has the molecular formula C23H22Cl2N6O4 and a molecular weight of 517.37 g/mol. Its IUPAC name is 4-[[6-(2,6-dichlorophenyl)-8-methoxy-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-N-(2-hydroxyethyl)-N,1-dimethylpyrrole-2-carboxamide.

Molecular Properties

• Compound Name: 4-[[6-(2,6-dichlorophenyl)-8-methoxy-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-N-(2-hydroxyethyl)-N,1-dimethylpyrrole-2-carboxamide
• PubChem CID: 58395712
• Molecular Formula: C23H22Cl2N6O4
• Molecular Weight: 517.37 g/mol
• Exact Mass: 516.11
• IUPAC Name: 4-[[6-(2,6-dichlorophenyl)-8-methoxy-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-N-(2-hydroxyethyl)-N,1-dimethylpyrrole-2-carboxamide
• SMILES: COn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3cc(C(=O)N(C)CCO)n(C)c3)nc21
• InChI: InChI=1S/C23H22Cl2N6O4/c1-29(7-8-32)22(34)18-10-14(12-30(18)2)27-23-26-11-13-9-15(19-16(24)5-4-6-17(19)25)21(33)31(35-3)20(13)28-23/h4-6,9-12,32H,7-8H2,1-3H3,(H,26,27,28)
• InChIKey: MFXLUQPAJIBNEN-UHFFFAOYSA-N
• XLogP: 2.97
• TPSA: 114.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	517.37
LogP ≤ 5	2.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-[[6-(2,6-dichlorophenyl)-8-methoxy-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-N-(2-hydroxyethyl)-N,1-dimethylpyrrole-2-carboxamide?

The IUPAC name of 4-[[6-(2,6-dichlorophenyl)-8-methoxy-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-N-(2-hydroxyethyl)-N,1-dimethylpyrrole-2-carboxamide (CID 58395712) is 4-[[6-(2,6-dichlorophenyl)-8-methoxy-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-N-(2-hydroxyethyl)-N,1-dimethylpyrrole-2-carboxamide.

What is the SMILES notation for 4-[[6-(2,6-dichlorophenyl)-8-methoxy-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-N-(2-hydroxyethyl)-N,1-dimethylpyrrole-2-carboxamide?

The canonical SMILES for 4-[[6-(2,6-dichlorophenyl)-8-methoxy-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-N-(2-hydroxyethyl)-N,1-dimethylpyrrole-2-carboxamide is COn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3cc(C(=O)N(C)CCO)n(C)c3)nc21.

What is the InChIKey of 4-[[6-(2,6-dichlorophenyl)-8-methoxy-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-N-(2-hydroxyethyl)-N,1-dimethylpyrrole-2-carboxamide?

The InChIKey is MFXLUQPAJIBNEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Cl2N6O4/c1-29(7-8-32)22(34)18-10-14(12-30(18)2)27-23-26-11-13-9-15(19-16(24)5-4-6-17(19)25)21(33)31(35-3)20(13)28-23/h4-6,9-12,32H,7-8H2,1-3H3,(H,26,27,28).

What are the key properties of 4-[[6-(2,6-dichlorophenyl)-8-methoxy-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-N-(2-hydroxyethyl)-N,1-dimethylpyrrole-2-carboxamide?

4-[[6-(2,6-dichlorophenyl)-8-methoxy-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-N-(2-hydroxyethyl)-N,1-dimethylpyrrole-2-carboxamide has a molecular weight of 517.37 g/mol, XLogP of 2.97, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[6-(2,6-dichlorophenyl)-8-methoxy-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-N-(2-hydroxyethyl)-N,1-dimethylpyrrole-2-carboxamide is sourced from PubChem (CID 58395712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).