3-amino-N-(1,3-benzodioxol-5-yl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide

C18H17N3O4S — CID 1093404

IUPAC3-amino-N-(1,3-benzodioxol-5-yl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCOCc1cc(C)nc2sc(C(=O)Nc3ccc4c(c3)OCO4)c(N)c12
InChIInChI=1S/C18H17N3O4S/c1-9-5-10(7-23-2)14-15(19)16(26-18(14)20-9)17(22)21-11-3-4-12-13(6-11)25-8-24-12/h3-6H,7-8,19H2,1-2H3,(H,21,22)
InChIKeyNEOPGMBUVHHDIL-UHFFFAOYSA-N
MW371.42 g/mol
LogP3.31
Rot. Bonds4

About 3-amino-N-(1,3-benzodioxol-5-yl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide

3-amino-N-(1,3-benzodioxol-5-yl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 1093404) has the molecular formula C18H17N3O4S and a molecular weight of 371.42 g/mol. Its IUPAC name is 3-amino-N-(1,3-benzodioxol-5-yl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(1,3-benzodioxol-5-yl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID1093404
Molecular FormulaC18H17N3O4S
Molecular Weight371.42 g/mol
Exact Mass371.09
IUPAC Name3-amino-N-(1,3-benzodioxol-5-yl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCOCc1cc(C)nc2sc(C(=O)Nc3ccc4c(c3)OCO4)c(N)c12
InChIInChI=1S/C18H17N3O4S/c1-9-5-10(7-23-2)14-15(19)16(26-18(14)20-9)17(22)21-11-3-4-12-13(6-11)25-8-24-12/h3-6H,7-8,19H2,1-2H3,(H,21,22)
InChIKeyNEOPGMBUVHHDIL-UHFFFAOYSA-N
XLogP3.31
TPSA95.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-amino-N-(1,3-benzodioxol-5-yl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide with MolForge

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Related Compounds

VU0152100
CID 864492
VU0152099
CID 1541501
3-amino-N-(4-methoxyphenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 689989
3-amino-6-(3,4-dimethoxyphenyl)-N-[4-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide
CID 2017205
3-Amino-N,6-bis(4-methoxyphenyl)-4-(trifluoromethyl)thieno(2,3-B)pyridine-2-carboxamide
CID 1283826
N-(2H-1,3-benzodioxol-5-yl)-4-[2-(pyridin-4-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 23644853
Methyl 6-methyl-3-[(3,4,5-trimethoxyphenyl) amino]thieno[2,3-b]pyridine-2-carboxylate
CID 71601957
3-amino-4-(methoxymethyl)-N-(4-methoxyphenyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 1018148
3-amino-N-(4-fluorophenyl)-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 1002397
3-amino-6-(3,4-dimethoxyphenyl)-N-(4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 1002400
3-amino-6-(1,3-benzodioxol-5-yl)-N-(4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 1004017
3-amino-N-(3-ethoxyphenyl)-6-(4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 1004107

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1,3-benzodioxol-5-yl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(1,3-benzodioxol-5-yl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide (CID 1093404) is 3-amino-N-(1,3-benzodioxol-5-yl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(1,3-benzodioxol-5-yl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(1,3-benzodioxol-5-yl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide is COCc1cc(C)nc2sc(C(=O)Nc3ccc4c(c3)OCO4)c(N)c12.
What is the InChIKey of 3-amino-N-(1,3-benzodioxol-5-yl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is NEOPGMBUVHHDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4S/c1-9-5-10(7-23-2)14-15(19)16(26-18(14)20-9)17(22)21-11-3-4-12-13(6-11)25-8-24-12/h3-6H,7-8,19H2,1-2H3,(H,21,22).
What are the key properties of 3-amino-N-(1,3-benzodioxol-5-yl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-(1,3-benzodioxol-5-yl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 371.42 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1,3-benzodioxol-5-yl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 1093404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).