3-[(3-amino-6-butylthieno[2,3-b]pyridine-2-carbonyl)amino]benzoic acid

C19H19N3O3S — CID 21233452

IUPAC3-[(3-amino-6-butylthieno[2,3-b]pyridine-2-carbonyl)amino]benzoic acid
SMILESCCCCc1ccc2c(N)c(C(=O)Nc3cccc(C(=O)O)c3)sc2n1
InChIInChI=1S/C19H19N3O3S/c1-2-3-6-12-8-9-14-15(20)16(26-18(14)22-12)17(23)21-13-7-4-5-11(10-13)19(24)25/h4-5,7-10H,2-3,6,20H2,1H3,(H,21,23)(H,24,25)
InChIKeyHQGFAVAATYBSFW-UHFFFAOYSA-N
MW369.45 g/mol
LogP4.17
Rot. Bonds6

About 3-[(3-amino-6-butylthieno[2,3-b]pyridine-2-carbonyl)amino]benzoic acid

3-[(3-amino-6-butylthieno[2,3-b]pyridine-2-carbonyl)amino]benzoic acid (PubChem CID 21233452) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is 3-[(3-amino-6-butylthieno[2,3-b]pyridine-2-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name3-[(3-amino-6-butylthieno[2,3-b]pyridine-2-carbonyl)amino]benzoic acid
PubChem CID21233452
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC Name3-[(3-amino-6-butylthieno[2,3-b]pyridine-2-carbonyl)amino]benzoic acid
SMILESCCCCc1ccc2c(N)c(C(=O)Nc3cccc(C(=O)O)c3)sc2n1
InChIInChI=1S/C19H19N3O3S/c1-2-3-6-12-8-9-14-15(20)16(26-18(14)22-12)17(23)21-13-7-4-5-11(10-13)19(24)25/h4-5,7-10H,2-3,6,20H2,1H3,(H,21,23)(H,24,25)
InChIKeyHQGFAVAATYBSFW-UHFFFAOYSA-N
XLogP4.17
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 54.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[(3-amino-6-butylthieno[2,3-b]pyridine-2-carbonyl)amino]benzoic acid 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-N-(3-methylphenyl)-6-propylthieno[2,3-b]pyridine-2-carboxamide
CID 23745667
3-amino-N-naphthalen-2-yl-6-propylthieno[2,3-b]pyridine-2-carboxamide
CID 23916901
N-[4-(acetylsulfamoyl)phenyl]-3-amino-6-butylthieno[2,3-b]pyridine-2-carboxamide
CID 25038545
3-amino-N-(4-ethylphenyl)-6-propylthieno[2,3-b]pyridine-2-carboxamide
CID 23888928
(3-amino-6-butylthieno[2,3-b]pyridin-2-yl)-(3-nitrophenyl)methanone
CID 23943417
3-amino-N-(4-cyanophenyl)-6-propylthieno[2,3-b]pyridine-2-carboxamide
CID 23916903
3-amino-6-butyl-N-(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 23745648
ethyl 3-[(3-amino-5,6-dimethylthieno[2,3-b]pyridine-2-carbonyl)amino]benzoate
CID 171133227
3-amino-N-(4-benzoylphenyl)-6-(2-methylpropyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23832664
3-amino-6-butyl-N-(3-carbamoyl-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 23832677
[4-[4-(3-amino-6-pentylthieno[2,3-b]pyridine-2-carbonyl)phenyl]phenyl]-(3-amino-6-pentylthieno[2,3-b]pyridin-2-yl)methanone
CID 4085850
3-amino-6-propyl-N-[5-(trifluoromethyl)-2-pyridinyl]thieno[2,3-b]pyridine-2-carboxamide
CID 87047894

Frequently Asked Questions

What is the IUPAC name of 3-[(3-amino-6-butylthieno[2,3-b]pyridine-2-carbonyl)amino]benzoic acid?
The IUPAC name of 3-[(3-amino-6-butylthieno[2,3-b]pyridine-2-carbonyl)amino]benzoic acid (CID 21233452) is 3-[(3-amino-6-butylthieno[2,3-b]pyridine-2-carbonyl)amino]benzoic acid.
What is the SMILES notation for 3-[(3-amino-6-butylthieno[2,3-b]pyridine-2-carbonyl)amino]benzoic acid?
The canonical SMILES for 3-[(3-amino-6-butylthieno[2,3-b]pyridine-2-carbonyl)amino]benzoic acid is CCCCc1ccc2c(N)c(C(=O)Nc3cccc(C(=O)O)c3)sc2n1.
What is the InChIKey of 3-[(3-amino-6-butylthieno[2,3-b]pyridine-2-carbonyl)amino]benzoic acid?
The InChIKey is HQGFAVAATYBSFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-2-3-6-12-8-9-14-15(20)16(26-18(14)22-12)17(23)21-13-7-4-5-11(10-13)19(24)25/h4-5,7-10H,2-3,6,20H2,1H3,(H,21,23)(H,24,25).
What are the key properties of 3-[(3-amino-6-butylthieno[2,3-b]pyridine-2-carbonyl)amino]benzoic acid?
3-[(3-amino-6-butylthieno[2,3-b]pyridine-2-carbonyl)amino]benzoic acid has a molecular weight of 369.45 g/mol, XLogP of 4.17, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-amino-6-butylthieno[2,3-b]pyridine-2-carbonyl)amino]benzoic acid is sourced from PubChem (CID 21233452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).