3-amino-N-(2-ethoxyphenyl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide

C19H21N3O3S — CID 1093411

IUPAC3-amino-N-(2-ethoxyphenyl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCCOc1ccccc1NC(=O)c1sc2nc(C)cc(COC)c2c1N
InChIInChI=1S/C19H21N3O3S/c1-4-25-14-8-6-5-7-13(14)22-18(23)17-16(20)15-12(10-24-3)9-11(2)21-19(15)26-17/h5-9H,4,10,20H2,1-3H3,(H,22,23)
InChIKeyMDZLOCGHDKHVAP-UHFFFAOYSA-N
MW371.46 g/mol
LogP3.98
Rot. Bonds6

About 3-amino-N-(2-ethoxyphenyl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide

3-amino-N-(2-ethoxyphenyl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 1093411) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is 3-amino-N-(2-ethoxyphenyl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2-ethoxyphenyl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID1093411
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC Name3-amino-N-(2-ethoxyphenyl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCCOc1ccccc1NC(=O)c1sc2nc(C)cc(COC)c2c1N
InChIInChI=1S/C19H21N3O3S/c1-4-25-14-8-6-5-7-13(14)22-18(23)17-16(20)15-12(10-24-3)9-11(2)21-19(15)26-17/h5-9H,4,10,20H2,1-3H3,(H,22,23)
InChIKeyMDZLOCGHDKHVAP-UHFFFAOYSA-N
XLogP3.98
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-(2-ethylphenyl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 1209422
3-amino-N-(2-cyanophenyl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 126069710
3-amino-N-(4-ethylphenyl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 5302650
3-amino-N-[2-(3,4-diethoxyphenyl)ethyl]-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 1045586
3-amino-N-(4-bromo-2-fluorophenyl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 126379375
2-[[3-amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carbonyl]amino]-4-nitrophenolate
CID 7030010
3-amino-N-(2-ethoxyphenyl)-6-methoxythieno[2,3-b]quinoline-2-carboxamide
CID 3207356
ethyl 3-(furan-2-carbonylamino)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxylate
CID 5299683
3-amino-N-(4-ethoxyphenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 734377
N-[2-benzoyl-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-yl]-2-chloroacetamide
CID 16761636
3-amino-N-(2,4-dimethoxyphenyl)-6-(4-ethoxyphenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 3133270
N-(2-ethoxyphenyl)-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 9192368

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-ethoxyphenyl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(2-ethoxyphenyl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide (CID 1093411) is 3-amino-N-(2-ethoxyphenyl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(2-ethoxyphenyl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(2-ethoxyphenyl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide is CCOc1ccccc1NC(=O)c1sc2nc(C)cc(COC)c2c1N.
What is the InChIKey of 3-amino-N-(2-ethoxyphenyl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is MDZLOCGHDKHVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-4-25-14-8-6-5-7-13(14)22-18(23)17-16(20)15-12(10-24-3)9-11(2)21-19(15)26-17/h5-9H,4,10,20H2,1-3H3,(H,22,23).
What are the key properties of 3-amino-N-(2-ethoxyphenyl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-(2-ethoxyphenyl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 371.46 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-ethoxyphenyl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 1093411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).