2-[1-(pyridine-3-carbonyl)pyrrolidin-3-yl]-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide

C23H19N5O2S — CID 110253812

About 2-[1-(pyridine-3-carbonyl)pyrrolidin-3-yl]-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide

2-[1-(pyridine-3-carbonyl)pyrrolidin-3-yl]-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide (PubChem CID 110253812) has the molecular formula C23H19N5O2S and a molecular weight of 429.51 g/mol. Its IUPAC name is 2-[1-(pyridine-3-carbonyl)pyrrolidin-3-yl]-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide.

Molecular Properties

• Compound Name: 2-[1-(pyridine-3-carbonyl)pyrrolidin-3-yl]-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
• PubChem CID: 110253812
• Molecular Formula: C23H19N5O2S
• Molecular Weight: 429.51 g/mol
• Exact Mass: 429.13
• IUPAC Name: 2-[1-(pyridine-3-carbonyl)pyrrolidin-3-yl]-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
• SMILES: O=C(Nc1nccs1)c1cc(C2CCN(C(=O)c3cccnc3)C2)nc2ccccc12
• InChI: InChI=1S/C23H19N5O2S/c29-21(27-23-25-9-11-31-23)18-12-20(26-19-6-2-1-5-17(18)19)16-7-10-28(14-16)22(30)15-4-3-8-24-13-15/h1-6,8-9,11-13,16H,7,10,14H2,(H,25,27,29)
• InChIKey: PGYYIHVVVQGAGI-UHFFFAOYSA-N
• XLogP: 3.97
• TPSA: 88.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.51
LogP ≤ 5	3.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[1-(pyridine-3-carbonyl)pyrrolidin-3-yl]-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide?

The IUPAC name of 2-[1-(pyridine-3-carbonyl)pyrrolidin-3-yl]-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide (CID 110253812) is 2-[1-(pyridine-3-carbonyl)pyrrolidin-3-yl]-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide.

What is the SMILES notation for 2-[1-(pyridine-3-carbonyl)pyrrolidin-3-yl]-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide?

The canonical SMILES for 2-[1-(pyridine-3-carbonyl)pyrrolidin-3-yl]-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide is O=C(Nc1nccs1)c1cc(C2CCN(C(=O)c3cccnc3)C2)nc2ccccc12.

What is the InChIKey of 2-[1-(pyridine-3-carbonyl)pyrrolidin-3-yl]-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide?

The InChIKey is PGYYIHVVVQGAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O2S/c29-21(27-23-25-9-11-31-23)18-12-20(26-19-6-2-1-5-17(18)19)16-7-10-28(14-16)22(30)15-4-3-8-24-13-15/h1-6,8-9,11-13,16H,7,10,14H2,(H,25,27,29).

What are the key properties of 2-[1-(pyridine-3-carbonyl)pyrrolidin-3-yl]-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide?

2-[1-(pyridine-3-carbonyl)pyrrolidin-3-yl]-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide has a molecular weight of 429.51 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(pyridine-3-carbonyl)pyrrolidin-3-yl]-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide is sourced from PubChem (CID 110253812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).