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

C19H21N3O2S — CID 5302650

IUPAC3-amino-N-(4-ethylphenyl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCCc1ccc(NC(=O)c2sc3nc(C)cc(COC)c3c2N)cc1
InChIInChI=1S/C19H21N3O2S/c1-4-12-5-7-14(8-6-12)22-18(23)17-16(20)15-13(10-24-3)9-11(2)21-19(15)25-17/h5-9H,4,10,20H2,1-3H3,(H,22,23)
InChIKeyMGLLLIOGCHFCCH-UHFFFAOYSA-N
MW355.46 g/mol
LogP4.15
Rot. Bonds5

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

3-amino-N-(4-ethylphenyl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 5302650) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is 3-amino-N-(4-ethylphenyl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(4-ethylphenyl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID5302650
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name3-amino-N-(4-ethylphenyl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCCc1ccc(NC(=O)c2sc3nc(C)cc(COC)c3c2N)cc1
InChIInChI=1S/C19H21N3O2S/c1-4-12-5-7-14(8-6-12)22-18(23)17-16(20)15-13(10-24-3)9-11(2)21-19(15)25-17/h5-9H,4,10,20H2,1-3H3,(H,22,23)
InChIKeyMGLLLIOGCHFCCH-UHFFFAOYSA-N
XLogP4.15
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-ethylphenyl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(4-ethylphenyl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide (CID 5302650) is 3-amino-N-(4-ethylphenyl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(4-ethylphenyl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(4-ethylphenyl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide is CCc1ccc(NC(=O)c2sc3nc(C)cc(COC)c3c2N)cc1.
What is the InChIKey of 3-amino-N-(4-ethylphenyl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is MGLLLIOGCHFCCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-4-12-5-7-14(8-6-12)22-18(23)17-16(20)15-13(10-24-3)9-11(2)21-19(15)25-17/h5-9H,4,10,20H2,1-3H3,(H,22,23).
What are the key properties of 3-amino-N-(4-ethylphenyl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-(4-ethylphenyl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 355.46 g/mol, XLogP of 4.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-ethylphenyl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 5302650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).