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

C24H21NO4 — CID 22399409

IUPAC2-[4-[1-(naphthalene-2-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]phenoxy]acetic acid
SMILESO=C(O)COc1ccc(C2=CCN(C(=O)c3ccc4ccccc4c3)CC2)cc1
InChIInChI=1S/C24H21NO4/c26-23(27)16-29-22-9-7-18(8-10-22)19-11-13-25(14-12-19)24(28)21-6-5-17-3-1-2-4-20(17)15-21/h1-11,15H,12-14,16H2,(H,26,27)
InChIKeyDGQYOBDPIVLESC-UHFFFAOYSA-N
MW387.44 g/mol
LogP4.23
Rot. Bonds5

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

2-[4-[1-(naphthalene-2-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]phenoxy]acetic acid (PubChem CID 22399409) has the molecular formula C24H21NO4 and a molecular weight of 387.44 g/mol. Its IUPAC name is 2-[4-[1-(naphthalene-2-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[1-(naphthalene-2-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]phenoxy]acetic acid
PubChem CID22399409
Molecular FormulaC24H21NO4
Molecular Weight387.44 g/mol
Exact Mass387.15
IUPAC Name2-[4-[1-(naphthalene-2-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]phenoxy]acetic acid
SMILESO=C(O)COc1ccc(C2=CCN(C(=O)c3ccc4ccccc4c3)CC2)cc1
InChIInChI=1S/C24H21NO4/c26-23(27)16-29-22-9-7-18(8-10-22)19-11-13-25(14-12-19)24(28)21-6-5-17-3-1-2-4-20(17)15-21/h1-11,15H,12-14,16H2,(H,26,27)
InChIKeyDGQYOBDPIVLESC-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-[4-[1-(naphthalene-2-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]phenoxy]acetic acid?
The IUPAC name of 2-[4-[1-(naphthalene-2-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]phenoxy]acetic acid (CID 22399409) is 2-[4-[1-(naphthalene-2-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[1-(naphthalene-2-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[1-(naphthalene-2-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]phenoxy]acetic acid is O=C(O)COc1ccc(C2=CCN(C(=O)c3ccc4ccccc4c3)CC2)cc1.
What is the InChIKey of 2-[4-[1-(naphthalene-2-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]phenoxy]acetic acid?
The InChIKey is DGQYOBDPIVLESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO4/c26-23(27)16-29-22-9-7-18(8-10-22)19-11-13-25(14-12-19)24(28)21-6-5-17-3-1-2-4-20(17)15-21/h1-11,15H,12-14,16H2,(H,26,27).
What are the key properties of 2-[4-[1-(naphthalene-2-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]phenoxy]acetic acid?
2-[4-[1-(naphthalene-2-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-[4-[1-(naphthalene-2-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]phenoxy]acetic acid is sourced from PubChem (CID 22399409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).