4-(2,6-dimethylmorpholin-4-yl)-N-(2-methoxyphenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide

C22H29N5O3 — CID 42786443

About 4-(2,6-dimethylmorpholin-4-yl)-N-(2-methoxyphenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide

4-(2,6-dimethylmorpholin-4-yl)-N-(2-methoxyphenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (PubChem CID 42786443) has the molecular formula C22H29N5O3 and a molecular weight of 411.51 g/mol. Its IUPAC name is 4-(2,6-dimethylmorpholin-4-yl)-N-(2-methoxyphenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: 4-(2,6-dimethylmorpholin-4-yl)-N-(2-methoxyphenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
• PubChem CID: 42786443
• Molecular Formula: C22H29N5O3
• Molecular Weight: 411.51 g/mol
• Exact Mass: 411.23
• IUPAC Name: 4-(2,6-dimethylmorpholin-4-yl)-N-(2-methoxyphenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
• SMILES: COc1ccccc1NC(=O)N1CCc2nc(C)nc(N3CC(C)OC(C)C3)c2C1
• InChI: InChI=1S/C22H29N5O3/c1-14-11-27(12-15(2)30-14)21-17-13-26(10-9-18(17)23-16(3)24-21)22(28)25-19-7-5-6-8-20(19)29-4/h5-8,14-15H,9-13H2,1-4H3,(H,25,28)
• InChIKey: VEPKZQXFWIGWBM-UHFFFAOYSA-N
• XLogP: 3.00
• TPSA: 79.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.51
LogP ≤ 5	3.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethylmorpholin-4-yl)-N-(2-methoxyphenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?

The IUPAC name of 4-(2,6-dimethylmorpholin-4-yl)-N-(2-methoxyphenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (CID 42786443) is 4-(2,6-dimethylmorpholin-4-yl)-N-(2-methoxyphenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.

What is the SMILES notation for 4-(2,6-dimethylmorpholin-4-yl)-N-(2-methoxyphenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?

The canonical SMILES for 4-(2,6-dimethylmorpholin-4-yl)-N-(2-methoxyphenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is COc1ccccc1NC(=O)N1CCc2nc(C)nc(N3CC(C)OC(C)C3)c2C1.

What is the InChIKey of 4-(2,6-dimethylmorpholin-4-yl)-N-(2-methoxyphenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?

The InChIKey is VEPKZQXFWIGWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O3/c1-14-11-27(12-15(2)30-14)21-17-13-26(10-9-18(17)23-16(3)24-21)22(28)25-19-7-5-6-8-20(19)29-4/h5-8,14-15H,9-13H2,1-4H3,(H,25,28).

What are the key properties of 4-(2,6-dimethylmorpholin-4-yl)-N-(2-methoxyphenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?

4-(2,6-dimethylmorpholin-4-yl)-N-(2-methoxyphenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide has a molecular weight of 411.51 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2,6-dimethylmorpholin-4-yl)-N-(2-methoxyphenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 42786443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).