2-[3-[1-(naphthalene-1-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]phenoxy]acetic acid

C24H21NO4 — CID 22399205

IUPAC2-[3-[1-(naphthalene-1-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]phenoxy]acetic acid
SMILESO=C(O)COc1cccc(C2=CCN(C(=O)c3cccc4ccccc34)CC2)c1
InChIInChI=1S/C24H21NO4/c26-23(27)16-29-20-8-3-7-19(15-20)17-11-13-25(14-12-17)24(28)22-10-4-6-18-5-1-2-9-21(18)22/h1-11,15H,12-14,16H2,(H,26,27)
InChIKeyWUXJEEAUCICZKB-UHFFFAOYSA-N
MW387.44 g/mol
LogP4.23
Rot. Bonds5

About 2-[3-[1-(naphthalene-1-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]phenoxy]acetic acid

2-[3-[1-(naphthalene-1-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]phenoxy]acetic acid (PubChem CID 22399205) has the molecular formula C24H21NO4 and a molecular weight of 387.44 g/mol. Its IUPAC name is 2-[3-[1-(naphthalene-1-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-[1-(naphthalene-1-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]phenoxy]acetic acid
PubChem CID22399205
Molecular FormulaC24H21NO4
Molecular Weight387.44 g/mol
Exact Mass387.15
IUPAC Name2-[3-[1-(naphthalene-1-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]phenoxy]acetic acid
SMILESO=C(O)COc1cccc(C2=CCN(C(=O)c3cccc4ccccc34)CC2)c1
InChIInChI=1S/C24H21NO4/c26-23(27)16-29-20-8-3-7-19(15-20)17-11-13-25(14-12-17)24(28)22-10-4-6-18-5-1-2-9-21(18)22/h1-11,15H,12-14,16H2,(H,26,27)
InChIKeyWUXJEEAUCICZKB-UHFFFAOYSA-N
XLogP4.23
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-(naphthalene-1-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]phenoxy]acetic acid?
The IUPAC name of 2-[3-[1-(naphthalene-1-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]phenoxy]acetic acid (CID 22399205) is 2-[3-[1-(naphthalene-1-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]phenoxy]acetic acid.
What is the SMILES notation for 2-[3-[1-(naphthalene-1-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]phenoxy]acetic acid?
The canonical SMILES for 2-[3-[1-(naphthalene-1-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]phenoxy]acetic acid is O=C(O)COc1cccc(C2=CCN(C(=O)c3cccc4ccccc34)CC2)c1.
What is the InChIKey of 2-[3-[1-(naphthalene-1-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]phenoxy]acetic acid?
The InChIKey is WUXJEEAUCICZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO4/c26-23(27)16-29-20-8-3-7-19(15-20)17-11-13-25(14-12-17)24(28)22-10-4-6-18-5-1-2-9-21(18)22/h1-11,15H,12-14,16H2,(H,26,27).
What are the key properties of 2-[3-[1-(naphthalene-1-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]phenoxy]acetic acid?
2-[3-[1-(naphthalene-1-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]phenoxy]acetic acid has a molecular weight of 387.44 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-(naphthalene-1-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]phenoxy]acetic acid is sourced from PubChem (CID 22399205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).