4-hydroxy-6-oxo-N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]-1H-pyridine-3-carboxamide

C20H22N2O4 — CID 125157024

About 4-hydroxy-6-oxo-N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]-1H-pyridine-3-carboxamide

4-hydroxy-6-oxo-N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]-1H-pyridine-3-carboxamide (PubChem CID 125157024) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 4-hydroxy-6-oxo-N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]-1H-pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 4-hydroxy-6-oxo-N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]-1H-pyridine-3-carboxamide
• PubChem CID: 125157024
• Molecular Formula: C20H22N2O4
• Molecular Weight: 354.41 g/mol
• Exact Mass: 354.16
• IUPAC Name: 4-hydroxy-6-oxo-N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]-1H-pyridine-3-carboxamide
• SMILES: O=C(N[C@@H]1CC2(CCCCC2)Oc2ccccc21)c1c[nH]c(=O)cc1O
• InChI: InChI=1S/C20H22N2O4/c23-16-10-18(24)21-12-14(16)19(25)22-15-11-20(8-4-1-5-9-20)26-17-7-3-2-6-13(15)17/h2-3,6-7,10,12,15H,1,4-5,8-9,11H2,(H,22,25)(H2,21,23,24)/t15-/m1/s1
• InChIKey: ADXVLRHZTVNSPT-OAHLLOKOSA-N
• XLogP: 3.04
• TPSA: 91.42 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	354.41
LogP ≤ 5	3.04
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6-oxo-N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]-1H-pyridine-3-carboxamide?

The IUPAC name of 4-hydroxy-6-oxo-N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]-1H-pyridine-3-carboxamide (CID 125157024) is 4-hydroxy-6-oxo-N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]-1H-pyridine-3-carboxamide.

What is the SMILES notation for 4-hydroxy-6-oxo-N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]-1H-pyridine-3-carboxamide?

The canonical SMILES for 4-hydroxy-6-oxo-N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]-1H-pyridine-3-carboxamide is O=C(N[C@@H]1CC2(CCCCC2)Oc2ccccc21)c1c[nH]c(=O)cc1O.

What is the InChIKey of 4-hydroxy-6-oxo-N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]-1H-pyridine-3-carboxamide?

The InChIKey is ADXVLRHZTVNSPT-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H22N2O4/c23-16-10-18(24)21-12-14(16)19(25)22-15-11-20(8-4-1-5-9-20)26-17-7-3-2-6-13(15)17/h2-3,6-7,10,12,15H,1,4-5,8-9,11H2,(H,22,25)(H2,21,23,24)/t15-/m1/s1.

What are the key properties of 4-hydroxy-6-oxo-N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]-1H-pyridine-3-carboxamide?

4-hydroxy-6-oxo-N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]-1H-pyridine-3-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 3.04, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-hydroxy-6-oxo-N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 125157024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).