2-ethoxy-N-(4-pyridin-3-yloxybut-2-ynyl)naphthalene-1-carboxamide

C22H20N2O3 — CID 90578907

IUPAC2-ethoxy-N-(4-pyridin-3-yloxybut-2-ynyl)naphthalene-1-carboxamide
SMILESCCOc1ccc2ccccc2c1C(=O)NCC#CCOc1cccnc1
InChIInChI=1S/C22H20N2O3/c1-2-26-20-12-11-17-8-3-4-10-19(17)21(20)22(25)24-14-5-6-15-27-18-9-7-13-23-16-18/h3-4,7-13,16H,2,14-15H2,1H3,(H,24,25)
InChIKeyDZIAHGWXJQIJOO-UHFFFAOYSA-N
MW360.41 g/mol
LogP3.45
Rot. Bonds6

About 2-ethoxy-N-(4-pyridin-3-yloxybut-2-ynyl)naphthalene-1-carboxamide

2-ethoxy-N-(4-pyridin-3-yloxybut-2-ynyl)naphthalene-1-carboxamide (PubChem CID 90578907) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is 2-ethoxy-N-(4-pyridin-3-yloxybut-2-ynyl)naphthalene-1-carboxamide.

Molecular Properties

Compound Name2-ethoxy-N-(4-pyridin-3-yloxybut-2-ynyl)naphthalene-1-carboxamide
PubChem CID90578907
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC Name2-ethoxy-N-(4-pyridin-3-yloxybut-2-ynyl)naphthalene-1-carboxamide
SMILESCCOc1ccc2ccccc2c1C(=O)NCC#CCOc1cccnc1
InChIInChI=1S/C22H20N2O3/c1-2-26-20-12-11-17-8-3-4-10-19(17)21(20)22(25)24-14-5-6-15-27-18-9-7-13-23-16-18/h3-4,7-13,16H,2,14-15H2,1H3,(H,24,25)
InChIKeyDZIAHGWXJQIJOO-UHFFFAOYSA-N
XLogP3.45
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-ethoxy-N-(4-pyridin-3-yloxybut-2-ynyl)naphthalene-1-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[4-(1,3-benzodioxol-5-yloxy)but-2-ynyl]-2-ethoxynaphthalene-1-carboxamide
CID 90576179
2-ethoxy-N-[3-(2-methoxyphenyl)prop-2-ynyl]naphthalene-1-carboxamide
CID 90549244
N-[3-(4-acetylphenyl)prop-2-ynyl]-2-ethoxynaphthalene-1-carboxamide
CID 90549519
N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-2-ethoxynaphthalene-1-carboxamide
CID 90551875
N-[3-[4-(dimethylcarbamoyl)phenyl]prop-2-ynyl]-2-ethoxynaphthalene-1-carboxamide
CID 90550070
2-methylsulfanyl-N-(4-pyridin-3-yloxybut-2-ynyl)benzamide
CID 90578973
N-(4-pyridin-3-yloxybut-2-ynyl)-1,2-oxazole-5-carboxamide
CID 90578764
4-cyano-N-(4-pyridin-3-yloxybut-2-ynyl)benzamide
CID 90579015
2-ethoxy-N-(2-ethoxypyrimidin-5-yl)naphthalene-1-carboxamide
CID 122301952
2-phenoxy-N-(4-pyridin-3-yloxybut-2-ynyl)propanamide
CID 90578916
3-chloro-N-(4-pyridin-3-yloxybut-2-ynyl)benzamide
CID 90578880
N-(4-pyridin-3-yloxybut-2-ynyl)-4-(trifluoromethoxy)benzamide
CID 90579041

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-(4-pyridin-3-yloxybut-2-ynyl)naphthalene-1-carboxamide?
The IUPAC name of 2-ethoxy-N-(4-pyridin-3-yloxybut-2-ynyl)naphthalene-1-carboxamide (CID 90578907) is 2-ethoxy-N-(4-pyridin-3-yloxybut-2-ynyl)naphthalene-1-carboxamide.
What is the SMILES notation for 2-ethoxy-N-(4-pyridin-3-yloxybut-2-ynyl)naphthalene-1-carboxamide?
The canonical SMILES for 2-ethoxy-N-(4-pyridin-3-yloxybut-2-ynyl)naphthalene-1-carboxamide is CCOc1ccc2ccccc2c1C(=O)NCC#CCOc1cccnc1.
What is the InChIKey of 2-ethoxy-N-(4-pyridin-3-yloxybut-2-ynyl)naphthalene-1-carboxamide?
The InChIKey is DZIAHGWXJQIJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3/c1-2-26-20-12-11-17-8-3-4-10-19(17)21(20)22(25)24-14-5-6-15-27-18-9-7-13-23-16-18/h3-4,7-13,16H,2,14-15H2,1H3,(H,24,25).
What are the key properties of 2-ethoxy-N-(4-pyridin-3-yloxybut-2-ynyl)naphthalene-1-carboxamide?
2-ethoxy-N-(4-pyridin-3-yloxybut-2-ynyl)naphthalene-1-carboxamide has a molecular weight of 360.41 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-(4-pyridin-3-yloxybut-2-ynyl)naphthalene-1-carboxamide is sourced from PubChem (CID 90578907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).