2-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide

C22H27N5O2 — CID 126792536

About 2-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide

2-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide (PubChem CID 126792536) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is 2-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide.

Molecular Properties

• Compound Name: 2-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
• PubChem CID: 126792536
• Molecular Formula: C22H27N5O2
• Molecular Weight: 393.49 g/mol
• Exact Mass: 393.22
• IUPAC Name: 2-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
• SMILES: CCc1ncc2c(n1)CN(C(C)C(=O)Nc1ccc(N3CCCC3=O)cc1)CC2
• InChI: InChI=1S/C22H27N5O2/c1-3-20-23-13-16-10-12-26(14-19(16)25-20)15(2)22(29)24-17-6-8-18(9-7-17)27-11-4-5-21(27)28/h6-9,13,15H,3-5,10-12,14H2,1-2H3,(H,24,29)
• InChIKey: ZTZUJCDXUMAEAS-UHFFFAOYSA-N
• XLogP: 2.55
• TPSA: 78.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	393.49
LogP ≤ 5	2.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide?

The IUPAC name of 2-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide (CID 126792536) is 2-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide.

What is the SMILES notation for 2-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide?

The canonical SMILES for 2-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide is CCc1ncc2c(n1)CN(C(C)C(=O)Nc1ccc(N3CCCC3=O)cc1)CC2.

What is the InChIKey of 2-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide?

The InChIKey is ZTZUJCDXUMAEAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-3-20-23-13-16-10-12-26(14-19(16)25-20)15(2)22(29)24-17-6-8-18(9-7-17)27-11-4-5-21(27)28/h6-9,13,15H,3-5,10-12,14H2,1-2H3,(H,24,29).

What are the key properties of 2-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide?

2-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide has a molecular weight of 393.49 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide is sourced from PubChem (CID 126792536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).