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

C22H29N5O2 — CID 7499135

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

4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-ethyl-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (PubChem CID 7499135) has the molecular formula C22H29N5O2 and a molecular weight of 395.51 g/mol. Its IUPAC name is 4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-ethyl-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: 4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-ethyl-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
• PubChem CID: 7499135
• Molecular Formula: C22H29N5O2
• Molecular Weight: 395.51 g/mol
• Exact Mass: 395.23
• IUPAC Name: 4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-ethyl-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
• SMILES: CCNC(=O)N1CCc2nc(-c3ccccc3)nc(N3C[C@@H](C)O[C@H](C)C3)c2C1
• InChI: InChI=1S/C22H29N5O2/c1-4-23-22(28)26-11-10-19-18(14-26)21(27-12-15(2)29-16(3)13-27)25-20(24-19)17-8-6-5-7-9-17/h5-9,15-16H,4,10-14H2,1-3H3,(H,23,28)/t15-,16-/m1/s1
• InChIKey: OYGOLKDMBOOQQN-HZPDHXFCSA-N
• XLogP: 2.84
• TPSA: 70.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.51
LogP ≤ 5	2.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-ethyl-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (CID 7499135) is 4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-ethyl-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.

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

The canonical SMILES for 4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-ethyl-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is CCNC(=O)N1CCc2nc(-c3ccccc3)nc(N3C[C@@H](C)O[C@H](C)C3)c2C1.

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

The InChIKey is OYGOLKDMBOOQQN-HZPDHXFCSA-N. The full InChI is InChI=1S/C22H29N5O2/c1-4-23-22(28)26-11-10-19-18(14-26)21(27-12-15(2)29-16(3)13-27)25-20(24-19)17-8-6-5-7-9-17/h5-9,15-16H,4,10-14H2,1-3H3,(H,23,28)/t15-,16-/m1/s1.

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

4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-ethyl-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide has a molecular weight of 395.51 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-ethyl-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 7499135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).