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

C23H19N5O2S — CID 92637041

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

2-[(3S)-1-(pyridine-4-carbonyl)pyrrolidin-3-yl]-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide (PubChem CID 92637041) has the molecular formula C23H19N5O2S and a molecular weight of 429.51 g/mol. Its IUPAC name is 2-[(3S)-1-(pyridine-4-carbonyl)pyrrolidin-3-yl]-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide.

Molecular Properties

• Compound Name: 2-[(3S)-1-(pyridine-4-carbonyl)pyrrolidin-3-yl]-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
• PubChem CID: 92637041
• Molecular Formula: C23H19N5O2S
• Molecular Weight: 429.51 g/mol
• Exact Mass: 429.13
• IUPAC Name: 2-[(3S)-1-(pyridine-4-carbonyl)pyrrolidin-3-yl]-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
• SMILES: O=C(Nc1nccs1)c1cc([C@H]2CCN(C(=O)c3ccncc3)C2)nc2ccccc12
• InChI: InChI=1S/C23H19N5O2S/c29-21(27-23-25-10-12-31-23)18-13-20(26-19-4-2-1-3-17(18)19)16-7-11-28(14-16)22(30)15-5-8-24-9-6-15/h1-6,8-10,12-13,16H,7,11,14H2,(H,25,27,29)/t16-/m0/s1
• InChIKey: YJZDHHYCWHPAAU-INIZCTEOSA-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-[(3S)-1-(pyridine-4-carbonyl)pyrrolidin-3-yl]-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide?

The IUPAC name of 2-[(3S)-1-(pyridine-4-carbonyl)pyrrolidin-3-yl]-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide (CID 92637041) is 2-[(3S)-1-(pyridine-4-carbonyl)pyrrolidin-3-yl]-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide.

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

The canonical SMILES for 2-[(3S)-1-(pyridine-4-carbonyl)pyrrolidin-3-yl]-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide is O=C(Nc1nccs1)c1cc([C@H]2CCN(C(=O)c3ccncc3)C2)nc2ccccc12.

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

The InChIKey is YJZDHHYCWHPAAU-INIZCTEOSA-N. The full InChI is InChI=1S/C23H19N5O2S/c29-21(27-23-25-10-12-31-23)18-13-20(26-19-4-2-1-3-17(18)19)16-7-11-28(14-16)22(30)15-5-8-24-9-6-15/h1-6,8-10,12-13,16H,7,11,14H2,(H,25,27,29)/t16-/m0/s1.

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

2-[(3S)-1-(pyridine-4-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-[(3S)-1-(pyridine-4-carbonyl)pyrrolidin-3-yl]-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide is sourced from PubChem (CID 92637041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).