6-ethyl-2-[(3-methoxynaphthalene-2-carbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride

C22H24ClN3O3S — CID 16806298

IUPAC6-ethyl-2-[(3-methoxynaphthalene-2-carbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride
SMILESCCN1CCc2c(sc(NC(=O)c3cc4ccccc4cc3OC)c2C(N)=O)C1.Cl
InChIInChI=1S/C22H23N3O3S.ClH/c1-3-25-9-8-15-18(12-25)29-22(19(15)20(23)26)24-21(27)16-10-13-6-4-5-7-14(13)11-17(16)28-2;/h4-7,10-11H,3,8-9,12H2,1-2H3,(H2,23,26)(H,24,27);1H
InChIKeyIYYVRFBXLKMHJX-UHFFFAOYSA-N
MW445.97 g/mol
LogP4.06
Rot. Bonds5

About 6-ethyl-2-[(3-methoxynaphthalene-2-carbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride

6-ethyl-2-[(3-methoxynaphthalene-2-carbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride (PubChem CID 16806298) has the molecular formula C22H24ClN3O3S and a molecular weight of 445.97 g/mol. Its IUPAC name is 6-ethyl-2-[(3-methoxynaphthalene-2-carbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name6-ethyl-2-[(3-methoxynaphthalene-2-carbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride
PubChem CID16806298
Molecular FormulaC22H24ClN3O3S
Molecular Weight445.97 g/mol
Exact Mass445.12
IUPAC Name6-ethyl-2-[(3-methoxynaphthalene-2-carbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride
SMILESCCN1CCc2c(sc(NC(=O)c3cc4ccccc4cc3OC)c2C(N)=O)C1.Cl
InChIInChI=1S/C22H23N3O3S.ClH/c1-3-25-9-8-15-18(12-25)29-22(19(15)20(23)26)24-21(27)16-10-13-6-4-5-7-14(13)11-17(16)28-2;/h4-7,10-11H,3,8-9,12H2,1-2H3,(H2,23,26)(H,24,27);1H
InChIKeyIYYVRFBXLKMHJX-UHFFFAOYSA-N
XLogP4.06
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.97
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-ethyl-2-[(3-methoxynaphthalene-2-carbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride 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 6-ethyl-2-[(3-methoxynaphthalene-2-carbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride?
The IUPAC name of 6-ethyl-2-[(3-methoxynaphthalene-2-carbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride (CID 16806298) is 6-ethyl-2-[(3-methoxynaphthalene-2-carbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for 6-ethyl-2-[(3-methoxynaphthalene-2-carbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride?
The canonical SMILES for 6-ethyl-2-[(3-methoxynaphthalene-2-carbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride is CCN1CCc2c(sc(NC(=O)c3cc4ccccc4cc3OC)c2C(N)=O)C1.Cl.
What is the InChIKey of 6-ethyl-2-[(3-methoxynaphthalene-2-carbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride?
The InChIKey is IYYVRFBXLKMHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3S.ClH/c1-3-25-9-8-15-18(12-25)29-22(19(15)20(23)26)24-21(27)16-10-13-6-4-5-7-14(13)11-17(16)28-2;/h4-7,10-11H,3,8-9,12H2,1-2H3,(H2,23,26)(H,24,27);1H.
What are the key properties of 6-ethyl-2-[(3-methoxynaphthalene-2-carbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride?
6-ethyl-2-[(3-methoxynaphthalene-2-carbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride has a molecular weight of 445.97 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-[(3-methoxynaphthalene-2-carbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 16806298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).