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

C22H20Cl2N6O4 — CID 24937463

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

4-[[6-(2,6-dichlorophenyl)-8-methoxy-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-N-(2-hydroxyethyl)-1-methylpyrrole-2-carboxamide (PubChem CID 24937463) has the molecular formula C22H20Cl2N6O4 and a molecular weight of 503.35 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)-1-methylpyrrole-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)-1-methylpyrrole-2-carboxamide
• PubChem CID: 24937463
• Molecular Formula: C22H20Cl2N6O4
• Molecular Weight: 503.35 g/mol
• Exact Mass: 502.09
• IUPAC Name: 4-[[6-(2,6-dichlorophenyl)-8-methoxy-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-N-(2-hydroxyethyl)-1-methylpyrrole-2-carboxamide
• SMILES: COn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3cc(C(=O)NCCO)n(C)c3)nc21
• InChI: InChI=1S/C22H20Cl2N6O4/c1-29-11-13(9-17(29)20(32)25-6-7-31)27-22-26-10-12-8-14(18-15(23)4-3-5-16(18)24)21(33)30(34-2)19(12)28-22/h3-5,8-11,31H,6-7H2,1-2H3,(H,25,32)(H,26,27,28)
• InChIKey: FZOPGMMYYDNJNQ-UHFFFAOYSA-N
• XLogP: 2.63
• TPSA: 123.30 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.35
LogP ≤ 5	2.63
H-Bond Donors ≤ 5	3
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)-1-methylpyrrole-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)-1-methylpyrrole-2-carboxamide (CID 24937463) is 4-[[6-(2,6-dichlorophenyl)-8-methoxy-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-N-(2-hydroxyethyl)-1-methylpyrrole-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)-1-methylpyrrole-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)-1-methylpyrrole-2-carboxamide is COn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3cc(C(=O)NCCO)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)-1-methylpyrrole-2-carboxamide?

The InChIKey is FZOPGMMYYDNJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N6O4/c1-29-11-13(9-17(29)20(32)25-6-7-31)27-22-26-10-12-8-14(18-15(23)4-3-5-16(18)24)21(33)30(34-2)19(12)28-22/h3-5,8-11,31H,6-7H2,1-2H3,(H,25,32)(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)-1-methylpyrrole-2-carboxamide?

4-[[6-(2,6-dichlorophenyl)-8-methoxy-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-N-(2-hydroxyethyl)-1-methylpyrrole-2-carboxamide has a molecular weight of 503.35 g/mol, XLogP of 2.63, 7 rotatable bonds, 3 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)-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 24937463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).