5-chloro-N-[2-[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]pyridine-2-carboxamide

C16H23ClN4O2 — CID 118782633

About 5-chloro-N-[2-[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]pyridine-2-carboxamide

5-chloro-N-[2-[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]pyridine-2-carboxamide (PubChem CID 118782633) has the molecular formula C16H23ClN4O2 and a molecular weight of 338.84 g/mol. Its IUPAC name is 5-chloro-N-[2-[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-N-[2-[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]pyridine-2-carboxamide
• PubChem CID: 118782633
• Molecular Formula: C16H23ClN4O2
• Molecular Weight: 338.84 g/mol
• Exact Mass: 338.15
• IUPAC Name: 5-chloro-N-[2-[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]pyridine-2-carboxamide
• SMILES: CN(C)CCN1C(=O)CCC1CCNC(=O)c1ccc(Cl)cn1
• InChI: InChI=1S/C16H23ClN4O2/c1-20(2)9-10-21-13(4-6-15(21)22)7-8-18-16(23)14-5-3-12(17)11-19-14/h3,5,11,13H,4,6-10H2,1-2H3,(H,18,23)
• InChIKey: BKJPLKVIMKKTOI-UHFFFAOYSA-N
• XLogP: 1.41
• TPSA: 65.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	338.84
LogP ≤ 5	1.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]pyridine-2-carboxamide?

The IUPAC name of 5-chloro-N-[2-[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]pyridine-2-carboxamide (CID 118782633) is 5-chloro-N-[2-[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]pyridine-2-carboxamide.

What is the SMILES notation for 5-chloro-N-[2-[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]pyridine-2-carboxamide?

The canonical SMILES for 5-chloro-N-[2-[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]pyridine-2-carboxamide is CN(C)CCN1C(=O)CCC1CCNC(=O)c1ccc(Cl)cn1.

What is the InChIKey of 5-chloro-N-[2-[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]pyridine-2-carboxamide?

The InChIKey is BKJPLKVIMKKTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN4O2/c1-20(2)9-10-21-13(4-6-15(21)22)7-8-18-16(23)14-5-3-12(17)11-19-14/h3,5,11,13H,4,6-10H2,1-2H3,(H,18,23).

What are the key properties of 5-chloro-N-[2-[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]pyridine-2-carboxamide?

5-chloro-N-[2-[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]pyridine-2-carboxamide has a molecular weight of 338.84 g/mol, XLogP of 1.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-[2-[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 118782633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).