3-amino-N-(3,5-dimethoxyphenyl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide

C19H21N3O3S — CID 23916849

IUPAC3-amino-N-(3,5-dimethoxyphenyl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide
SMILESCOc1cc(NC(=O)c2sc3nc(C(C)C)ccc3c2N)cc(OC)c1
InChIInChI=1S/C19H21N3O3S/c1-10(2)15-6-5-14-16(20)17(26-19(14)22-15)18(23)21-11-7-12(24-3)9-13(8-11)25-4/h5-10H,20H2,1-4H3,(H,21,23)
InChIKeyBYPJRJSQDKMVKK-UHFFFAOYSA-N
MW371.46 g/mol
LogP4.27
Rot. Bonds5

About 3-amino-N-(3,5-dimethoxyphenyl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide

3-amino-N-(3,5-dimethoxyphenyl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 23916849) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is 3-amino-N-(3,5-dimethoxyphenyl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(3,5-dimethoxyphenyl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID23916849
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC Name3-amino-N-(3,5-dimethoxyphenyl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide
SMILESCOc1cc(NC(=O)c2sc3nc(C(C)C)ccc3c2N)cc(OC)c1
InChIInChI=1S/C19H21N3O3S/c1-10(2)15-6-5-14-16(20)17(26-19(14)22-15)18(23)21-11-7-12(24-3)9-13(8-11)25-4/h5-10H,20H2,1-4H3,(H,21,23)
InChIKeyBYPJRJSQDKMVKK-UHFFFAOYSA-N
XLogP4.27
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-(2,4-dimethoxyphenyl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 23888867
(3-amino-6-propan-2-ylthieno[2,3-b]pyridin-2-yl)-(4-methoxyphenyl)methanone
CID 23773346
3-amino-6-(dimethoxymethyl)-N-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 2745223
3-amino-N-(2-methylphenyl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 23832639
3-amino-N-[3-carbamoyl-4-(4-methoxyphenyl)thiophen-2-yl]-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 23861077
3-amino-6-(4-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 1004083
3-amino-N-cyclopropyl-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 23772104
3-amino-N-(2-chloro-5-nitrophenyl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 23745625
3-amino-N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 23970201
3-amino-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 23858449
3-amino-N-[(4-methylphenyl)methyl]-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 23970146
3-amino-7-methoxy-N-(4-methoxyphenyl)thieno[2,3-b]quinoline-2-carboxamide
CID 1132039

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3,5-dimethoxyphenyl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(3,5-dimethoxyphenyl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide (CID 23916849) is 3-amino-N-(3,5-dimethoxyphenyl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(3,5-dimethoxyphenyl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(3,5-dimethoxyphenyl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide is COc1cc(NC(=O)c2sc3nc(C(C)C)ccc3c2N)cc(OC)c1.
What is the InChIKey of 3-amino-N-(3,5-dimethoxyphenyl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is BYPJRJSQDKMVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-10(2)15-6-5-14-16(20)17(26-19(14)22-15)18(23)21-11-7-12(24-3)9-13(8-11)25-4/h5-10H,20H2,1-4H3,(H,21,23).
What are the key properties of 3-amino-N-(3,5-dimethoxyphenyl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-(3,5-dimethoxyphenyl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 371.46 g/mol, XLogP of 4.27, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3,5-dimethoxyphenyl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 23916849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).