3-[2-[7-(2-cyclopropylethyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid

C22H25NO3 — CID 146824325

About 3-[2-[7-(2-cyclopropylethyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid

3-[2-[7-(2-cyclopropylethyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid (PubChem CID 146824325) has the molecular formula C22H25NO3 and a molecular weight of 351.45 g/mol. Its IUPAC name is 3-[2-[7-(2-cyclopropylethyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid.

Molecular Properties

• Compound Name: 3-[2-[7-(2-cyclopropylethyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid
• PubChem CID: 146824325
• Molecular Formula: C22H25NO3
• Molecular Weight: 351.45 g/mol
• Exact Mass: 351.18
• IUPAC Name: 3-[2-[7-(2-cyclopropylethyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid
• SMILES: O=C(O)c1ccncc1CCC1CCOc2cc(CCC3CC3)ccc21
• InChI: InChI=1S/C22H25NO3/c24-22(25)20-9-11-23-14-18(20)7-6-17-10-12-26-21-13-16(5-8-19(17)21)4-3-15-1-2-15/h5,8-9,11,13-15,17H,1-4,6-7,10,12H2,(H,24,25)
• InChIKey: SCQVKWDXNNZEDV-UHFFFAOYSA-N
• XLogP: 4.62
• TPSA: 59.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	351.45
LogP ≤ 5	4.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3-[2-[7-(2-cyclopropylethyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid?

The IUPAC name of 3-[2-[7-(2-cyclopropylethyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid (CID 146824325) is 3-[2-[7-(2-cyclopropylethyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid.

What is the SMILES notation for 3-[2-[7-(2-cyclopropylethyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid?

The canonical SMILES for 3-[2-[7-(2-cyclopropylethyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid is O=C(O)c1ccncc1CCC1CCOc2cc(CCC3CC3)ccc21.

What is the InChIKey of 3-[2-[7-(2-cyclopropylethyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid?

The InChIKey is SCQVKWDXNNZEDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO3/c24-22(25)20-9-11-23-14-18(20)7-6-17-10-12-26-21-13-16(5-8-19(17)21)4-3-15-1-2-15/h5,8-9,11,13-15,17H,1-4,6-7,10,12H2,(H,24,25).

What are the key properties of 3-[2-[7-(2-cyclopropylethyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid?

3-[2-[7-(2-cyclopropylethyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid has a molecular weight of 351.45 g/mol, XLogP of 4.62, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[7-(2-cyclopropylethyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 146824325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).