(Z)-7-naphthalen-1-yl-7-pyridin-3-ylhept-6-enoic acid

C22H21NO2 — CID 13417284

IUPAC(Z)-7-naphthalen-1-yl-7-pyridin-3-ylhept-6-enoic acid
SMILESO=C(O)CCCC/C=C(\c1cccnc1)c1cccc2ccccc12
InChIInChI=1S/C22H21NO2/c24-22(25)14-3-1-2-11-20(18-10-7-15-23-16-18)21-13-6-9-17-8-4-5-12-19(17)21/h4-13,15-16H,1-3,14H2,(H,24,25)/b20-11+
InChIKeyZGASGOVOVSAMRD-RGVLZGJSSA-N
MW331.42 g/mol
LogP5.31
Rot. Bonds7

About (Z)-7-naphthalen-1-yl-7-pyridin-3-ylhept-6-enoic acid

(Z)-7-naphthalen-1-yl-7-pyridin-3-ylhept-6-enoic acid (PubChem CID 13417284) has the molecular formula C22H21NO2 and a molecular weight of 331.42 g/mol. Its IUPAC name is (Z)-7-naphthalen-1-yl-7-pyridin-3-ylhept-6-enoic acid.

Molecular Properties

Compound Name(Z)-7-naphthalen-1-yl-7-pyridin-3-ylhept-6-enoic acid
PubChem CID13417284
Molecular FormulaC22H21NO2
Molecular Weight331.42 g/mol
Exact Mass331.16
IUPAC Name(Z)-7-naphthalen-1-yl-7-pyridin-3-ylhept-6-enoic acid
SMILESO=C(O)CCCC/C=C(\c1cccnc1)c1cccc2ccccc12
InChIInChI=1S/C22H21NO2/c24-22(25)14-3-1-2-11-20(18-10-7-15-23-16-18)21-13-6-9-17-8-4-5-12-19(17)21/h4-13,15-16H,1-3,14H2,(H,24,25)/b20-11+
InChIKeyZGASGOVOVSAMRD-RGVLZGJSSA-N
XLogP5.31
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.42
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (Z)-7-naphthalen-1-yl-7-pyridin-3-ylhept-6-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-7-naphthalen-1-yl-7-pyridin-3-ylhept-6-enoic acid?
The IUPAC name of (Z)-7-naphthalen-1-yl-7-pyridin-3-ylhept-6-enoic acid (CID 13417284) is (Z)-7-naphthalen-1-yl-7-pyridin-3-ylhept-6-enoic acid.
What is the SMILES notation for (Z)-7-naphthalen-1-yl-7-pyridin-3-ylhept-6-enoic acid?
The canonical SMILES for (Z)-7-naphthalen-1-yl-7-pyridin-3-ylhept-6-enoic acid is O=C(O)CCCC/C=C(\c1cccnc1)c1cccc2ccccc12.
What is the InChIKey of (Z)-7-naphthalen-1-yl-7-pyridin-3-ylhept-6-enoic acid?
The InChIKey is ZGASGOVOVSAMRD-RGVLZGJSSA-N. The full InChI is InChI=1S/C22H21NO2/c24-22(25)14-3-1-2-11-20(18-10-7-15-23-16-18)21-13-6-9-17-8-4-5-12-19(17)21/h4-13,15-16H,1-3,14H2,(H,24,25)/b20-11+.
What are the key properties of (Z)-7-naphthalen-1-yl-7-pyridin-3-ylhept-6-enoic acid?
(Z)-7-naphthalen-1-yl-7-pyridin-3-ylhept-6-enoic acid has a molecular weight of 331.42 g/mol, XLogP of 5.31, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-7-naphthalen-1-yl-7-pyridin-3-ylhept-6-enoic acid is sourced from PubChem (CID 13417284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).