N-[5-[3-(5-chloro-3-pyridinyl)azetidine-1-carbonyl]thiophen-2-yl]pyrrolidine-2-carboxamide

C18H19ClN4O2S — CID 162698016

About N-[5-[3-(5-chloro-3-pyridinyl)azetidine-1-carbonyl]thiophen-2-yl]pyrrolidine-2-carboxamide

N-[5-[3-(5-chloro-3-pyridinyl)azetidine-1-carbonyl]thiophen-2-yl]pyrrolidine-2-carboxamide (PubChem CID 162698016) has the molecular formula C18H19ClN4O2S and a molecular weight of 390.90 g/mol. Its IUPAC name is N-[5-[3-(5-chloro-3-pyridinyl)azetidine-1-carbonyl]thiophen-2-yl]pyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: N-[5-[3-(5-chloro-3-pyridinyl)azetidine-1-carbonyl]thiophen-2-yl]pyrrolidine-2-carboxamide
• PubChem CID: 162698016
• Molecular Formula: C18H19ClN4O2S
• Molecular Weight: 390.90 g/mol
• Exact Mass: 390.09
• IUPAC Name: N-[5-[3-(5-chloro-3-pyridinyl)azetidine-1-carbonyl]thiophen-2-yl]pyrrolidine-2-carboxamide
• SMILES: O=C(Nc1ccc(C(=O)N2CC(c3cncc(Cl)c3)C2)s1)C1CCCN1
• InChI: InChI=1S/C18H19ClN4O2S/c19-13-6-11(7-20-8-13)12-9-23(10-12)18(25)15-3-4-16(26-15)22-17(24)14-2-1-5-21-14/h3-4,6-8,12,14,21H,1-2,5,9-10H2,(H,22,24)
• InChIKey: JGZKYIXQZAPEPB-UHFFFAOYSA-N
• XLogP: 2.73
• TPSA: 74.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.90
LogP ≤ 5	2.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(5-chloro-3-pyridinyl)azetidine-1-carbonyl]thiophen-2-yl]pyrrolidine-2-carboxamide?

The IUPAC name of N-[5-[3-(5-chloro-3-pyridinyl)azetidine-1-carbonyl]thiophen-2-yl]pyrrolidine-2-carboxamide (CID 162698016) is N-[5-[3-(5-chloro-3-pyridinyl)azetidine-1-carbonyl]thiophen-2-yl]pyrrolidine-2-carboxamide.

What is the SMILES notation for N-[5-[3-(5-chloro-3-pyridinyl)azetidine-1-carbonyl]thiophen-2-yl]pyrrolidine-2-carboxamide?

The canonical SMILES for N-[5-[3-(5-chloro-3-pyridinyl)azetidine-1-carbonyl]thiophen-2-yl]pyrrolidine-2-carboxamide is O=C(Nc1ccc(C(=O)N2CC(c3cncc(Cl)c3)C2)s1)C1CCCN1.

What is the InChIKey of N-[5-[3-(5-chloro-3-pyridinyl)azetidine-1-carbonyl]thiophen-2-yl]pyrrolidine-2-carboxamide?

The InChIKey is JGZKYIXQZAPEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O2S/c19-13-6-11(7-20-8-13)12-9-23(10-12)18(25)15-3-4-16(26-15)22-17(24)14-2-1-5-21-14/h3-4,6-8,12,14,21H,1-2,5,9-10H2,(H,22,24).

What are the key properties of N-[5-[3-(5-chloro-3-pyridinyl)azetidine-1-carbonyl]thiophen-2-yl]pyrrolidine-2-carboxamide?

N-[5-[3-(5-chloro-3-pyridinyl)azetidine-1-carbonyl]thiophen-2-yl]pyrrolidine-2-carboxamide has a molecular weight of 390.90 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[3-(5-chloro-3-pyridinyl)azetidine-1-carbonyl]thiophen-2-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 162698016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).