(3S)-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide

C22H26N4O2 — CID 97155019

About (3S)-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide

(3S)-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide (PubChem CID 97155019) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is (3S)-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: (3S)-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
• PubChem CID: 97155019
• Molecular Formula: C22H26N4O2
• Molecular Weight: 378.48 g/mol
• Exact Mass: 378.21
• IUPAC Name: (3S)-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
• SMILES: CC(C)c1ccc(N2C[C@@H](C(=O)NCc3ncc4c(n3)CCC4)CC2=O)cc1
• InChI: InChI=1S/C22H26N4O2/c1-14(2)15-6-8-18(9-7-15)26-13-17(10-21(26)27)22(28)24-12-20-23-11-16-4-3-5-19(16)25-20/h6-9,11,14,17H,3-5,10,12-13H2,1-2H3,(H,24,28)/t17-/m0/s1
• InChIKey: PGZRYWPFWVTRLG-KRWDZBQOSA-N
• XLogP: 2.76
• TPSA: 75.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	378.48
LogP ≤ 5	2.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide?

The IUPAC name of (3S)-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide (CID 97155019) is (3S)-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide.

What is the SMILES notation for (3S)-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide?

The canonical SMILES for (3S)-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide is CC(C)c1ccc(N2C[C@@H](C(=O)NCc3ncc4c(n3)CCC4)CC2=O)cc1.

What is the InChIKey of (3S)-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide?

The InChIKey is PGZRYWPFWVTRLG-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-14(2)15-6-8-18(9-7-15)26-13-17(10-21(26)27)22(28)24-12-20-23-11-16-4-3-5-19(16)25-20/h6-9,11,14,17H,3-5,10,12-13H2,1-2H3,(H,24,28)/t17-/m0/s1.

What are the key properties of (3S)-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide?

(3S)-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide has a molecular weight of 378.48 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 97155019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).