5-[(2S)-2-[2-(3-chlorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-5-oxo-N-pyridin-2-ylpentanamide

C24H24ClN5O2 — CID 125025705

About 5-[(2S)-2-[2-(3-chlorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-5-oxo-N-pyridin-2-ylpentanamide

5-[(2S)-2-[2-(3-chlorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-5-oxo-N-pyridin-2-ylpentanamide (PubChem CID 125025705) has the molecular formula C24H24ClN5O2 and a molecular weight of 449.94 g/mol. Its IUPAC name is 5-[(2S)-2-[2-(3-chlorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-5-oxo-N-pyridin-2-ylpentanamide.

Molecular Properties

• Compound Name: 5-[(2S)-2-[2-(3-chlorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-5-oxo-N-pyridin-2-ylpentanamide
• PubChem CID: 125025705
• Molecular Formula: C24H24ClN5O2
• Molecular Weight: 449.94 g/mol
• Exact Mass: 449.16
• IUPAC Name: 5-[(2S)-2-[2-(3-chlorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-5-oxo-N-pyridin-2-ylpentanamide
• SMILES: O=C(CCCC(=O)N1CCC[C@H]1c1ccnc(-c2cccc(Cl)c2)n1)Nc1ccccn1
• InChI: InChI=1S/C24H24ClN5O2/c25-18-7-3-6-17(16-18)24-27-14-12-19(28-24)20-8-5-15-30(20)23(32)11-4-10-22(31)29-21-9-1-2-13-26-21/h1-3,6-7,9,12-14,16,20H,4-5,8,10-11,15H2,(H,26,29,31)/t20-/m0/s1
• InChIKey: ZOJIIUXEOMYMSL-FQEVSTJZSA-N
• XLogP: 4.66
• TPSA: 88.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	449.94
LogP ≤ 5	4.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-2-[2-(3-chlorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-5-oxo-N-pyridin-2-ylpentanamide?

The IUPAC name of 5-[(2S)-2-[2-(3-chlorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-5-oxo-N-pyridin-2-ylpentanamide (CID 125025705) is 5-[(2S)-2-[2-(3-chlorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-5-oxo-N-pyridin-2-ylpentanamide.

What is the SMILES notation for 5-[(2S)-2-[2-(3-chlorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-5-oxo-N-pyridin-2-ylpentanamide?

The canonical SMILES for 5-[(2S)-2-[2-(3-chlorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-5-oxo-N-pyridin-2-ylpentanamide is O=C(CCCC(=O)N1CCC[C@H]1c1ccnc(-c2cccc(Cl)c2)n1)Nc1ccccn1.

What is the InChIKey of 5-[(2S)-2-[2-(3-chlorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-5-oxo-N-pyridin-2-ylpentanamide?

The InChIKey is ZOJIIUXEOMYMSL-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H24ClN5O2/c25-18-7-3-6-17(16-18)24-27-14-12-19(28-24)20-8-5-15-30(20)23(32)11-4-10-22(31)29-21-9-1-2-13-26-21/h1-3,6-7,9,12-14,16,20H,4-5,8,10-11,15H2,(H,26,29,31)/t20-/m0/s1.

What are the key properties of 5-[(2S)-2-[2-(3-chlorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-5-oxo-N-pyridin-2-ylpentanamide?

5-[(2S)-2-[2-(3-chlorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-5-oxo-N-pyridin-2-ylpentanamide has a molecular weight of 449.94 g/mol, XLogP of 4.66, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2S)-2-[2-(3-chlorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-5-oxo-N-pyridin-2-ylpentanamide is sourced from PubChem (CID 125025705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).