3-amino-N-[(4-methylphenyl)methyl]-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide

C19H21N3OS — CID 23970146

IUPAC3-amino-N-[(4-methylphenyl)methyl]-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc(CNC(=O)c2sc3nc(C(C)C)ccc3c2N)cc1
InChIInChI=1S/C19H21N3OS/c1-11(2)15-9-8-14-16(20)17(24-19(14)22-15)18(23)21-10-13-6-4-12(3)5-7-13/h4-9,11H,10,20H2,1-3H3,(H,21,23)
InChIKeyCETIJBDZVHETCN-UHFFFAOYSA-N
MW339.46 g/mol
LogP4.24
Rot. Bonds4

About 3-amino-N-[(4-methylphenyl)methyl]-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide

3-amino-N-[(4-methylphenyl)methyl]-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 23970146) has the molecular formula C19H21N3OS and a molecular weight of 339.46 g/mol. Its IUPAC name is 3-amino-N-[(4-methylphenyl)methyl]-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(4-methylphenyl)methyl]-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID23970146
Molecular FormulaC19H21N3OS
Molecular Weight339.46 g/mol
Exact Mass339.14
IUPAC Name3-amino-N-[(4-methylphenyl)methyl]-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc(CNC(=O)c2sc3nc(C(C)C)ccc3c2N)cc1
InChIInChI=1S/C19H21N3OS/c1-11(2)15-9-8-14-16(20)17(24-19(14)22-15)18(23)21-10-13-6-4-12(3)5-7-13/h4-9,11H,10,20H2,1-3H3,(H,21,23)
InChIKeyCETIJBDZVHETCN-UHFFFAOYSA-N
XLogP4.24
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-N-[(4-methylphenyl)methyl]-6-propan-2-ylthieno[2,3-b]pyridine-2-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

3-amino-6-(4-fluorophenyl)-N-[(4-methylphenyl)methyl]thieno[2,3-b]pyridine-2-carboxamide
CID 1004132
3-amino-N-cyclopropyl-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 23772104
3-amino-N-(2-methylphenyl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 23832639
3-amino-N-[2-(1H-indol-3-yl)ethyl]-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 23772106
3-amino-6-(4-methylphenyl)thieno[2,3-b]pyridine-2-carbohydrazide
CID 53270913
3-amino-N-(3,5-dimethoxyphenyl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 23916849
3-amino-N-[(4-chlorophenyl)methyl]-6-(3-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 1003890
ethyl 2-[(3-amino-6-propan-2-ylthieno[2,3-b]pyridine-2-carbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
CID 23970102
3-amino-7-methyl-N-(pyridin-4-ylmethyl)-1-benzothiophene-2-carboxamide
CID 107112811
5-amino-N-[(4-ethylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide
CID 122691568
(3-amino-6-propan-2-ylthieno[2,3-b]pyridin-2-yl)-(4-methoxyphenyl)methanone
CID 23773346
4-amino-2-(dimethylamino)-N-[(4-methylphenyl)methyl]-1,3-thiazole-5-carboxamide
CID 116668777

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(4-methylphenyl)methyl]-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[(4-methylphenyl)methyl]-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide (CID 23970146) is 3-amino-N-[(4-methylphenyl)methyl]-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[(4-methylphenyl)methyl]-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[(4-methylphenyl)methyl]-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide is Cc1ccc(CNC(=O)c2sc3nc(C(C)C)ccc3c2N)cc1.
What is the InChIKey of 3-amino-N-[(4-methylphenyl)methyl]-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is CETIJBDZVHETCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3OS/c1-11(2)15-9-8-14-16(20)17(24-19(14)22-15)18(23)21-10-13-6-4-12(3)5-7-13/h4-9,11H,10,20H2,1-3H3,(H,21,23).
What are the key properties of 3-amino-N-[(4-methylphenyl)methyl]-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-[(4-methylphenyl)methyl]-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 339.46 g/mol, XLogP of 4.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(4-methylphenyl)methyl]-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 23970146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).