1-ethyl-2-oxo-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyridine-4-carboxamide

C22H23N3O3 — CID 135098213

About 1-ethyl-2-oxo-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyridine-4-carboxamide

1-ethyl-2-oxo-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyridine-4-carboxamide (PubChem CID 135098213) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 1-ethyl-2-oxo-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 1-ethyl-2-oxo-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyridine-4-carboxamide
• PubChem CID: 135098213
• Molecular Formula: C22H23N3O3
• Molecular Weight: 377.44 g/mol
• Exact Mass: 377.17
• IUPAC Name: 1-ethyl-2-oxo-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyridine-4-carboxamide
• SMILES: CCn1ccc(C(=O)N[C@@H]2COC[C@H]2Cc2ccnc3ccccc23)cc1=O
• InChI: InChI=1S/C22H23N3O3/c1-2-25-10-8-16(12-21(25)26)22(27)24-20-14-28-13-17(20)11-15-7-9-23-19-6-4-3-5-18(15)19/h3-10,12,17,20H,2,11,13-14H2,1H3,(H,24,27)/t17-,20-/m1/s1
• InChIKey: OKYDYUMOILEBIU-YLJYHZDGSA-N
• XLogP: 2.40
• TPSA: 73.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	377.44
LogP ≤ 5	2.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-oxo-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyridine-4-carboxamide?

The IUPAC name of 1-ethyl-2-oxo-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyridine-4-carboxamide (CID 135098213) is 1-ethyl-2-oxo-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyridine-4-carboxamide.

What is the SMILES notation for 1-ethyl-2-oxo-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyridine-4-carboxamide?

The canonical SMILES for 1-ethyl-2-oxo-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyridine-4-carboxamide is CCn1ccc(C(=O)N[C@@H]2COC[C@H]2Cc2ccnc3ccccc23)cc1=O.

What is the InChIKey of 1-ethyl-2-oxo-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyridine-4-carboxamide?

The InChIKey is OKYDYUMOILEBIU-YLJYHZDGSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-2-25-10-8-16(12-21(25)26)22(27)24-20-14-28-13-17(20)11-15-7-9-23-19-6-4-3-5-18(15)19/h3-10,12,17,20H,2,11,13-14H2,1H3,(H,24,27)/t17-,20-/m1/s1.

What are the key properties of 1-ethyl-2-oxo-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyridine-4-carboxamide?

1-ethyl-2-oxo-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyridine-4-carboxamide has a molecular weight of 377.44 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-2-oxo-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyridine-4-carboxamide is sourced from PubChem (CID 135098213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).