3-amino-6-cyclopropyl-4-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carbonitrile

C18H15N3OS — CID 869172

IUPAC3-amino-6-cyclopropyl-4-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carbonitrile
SMILESCOc1ccc(-c2cc(C3CC3)nc3sc(C#N)c(N)c23)cc1
InChIInChI=1S/C18H15N3OS/c1-22-12-6-4-10(5-7-12)13-8-14(11-2-3-11)21-18-16(13)17(20)15(9-19)23-18/h4-8,11H,2-3,20H2,1H3
InChIKeyARTRGOPQCSIMHO-UHFFFAOYSA-N
MW321.41 g/mol
LogP4.30
Rot. Bonds3

About 3-amino-6-cyclopropyl-4-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carbonitrile

3-amino-6-cyclopropyl-4-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carbonitrile (PubChem CID 869172) has the molecular formula C18H15N3OS and a molecular weight of 321.41 g/mol. Its IUPAC name is 3-amino-6-cyclopropyl-4-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-amino-6-cyclopropyl-4-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carbonitrile
PubChem CID869172
Molecular FormulaC18H15N3OS
Molecular Weight321.41 g/mol
Exact Mass321.09
IUPAC Name3-amino-6-cyclopropyl-4-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carbonitrile
SMILESCOc1ccc(-c2cc(C3CC3)nc3sc(C#N)c(N)c23)cc1
InChIInChI=1S/C18H15N3OS/c1-22-12-6-4-10(5-7-12)13-8-14(11-2-3-11)21-18-16(13)17(20)15(9-19)23-18/h4-8,11H,2-3,20H2,1H3
InChIKeyARTRGOPQCSIMHO-UHFFFAOYSA-N
XLogP4.30
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-Amino-4-(3-fluorophenyl)-7,9-dimethyl-4H-pyrano[2',3':4,5]thieno[2,3-b]pyridine-3-carbonitrile
CID 620761
3-Amino-6-(methoxymethyl)-4-methylthieno[2,3-b]pyridine-2-carbonitrile
CID 700804
3-Amino-4-(4-methoxyphenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carbonitrile
CID 1005240
3-Amino-6-(1,3-benzodioxol-5-yl)thieno[2,3-b]pyridine-2-carbonitrile
CID 943614
Ethyl 3-amino-6-cyclopropyl-4-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxylate
CID 1068681
2-amino-4-(4-methoxyphenyl)-7,9-dimethyl-4H-pyrano[2',3':4,5]thieno[2,3-b]pyridine-3-carbonitrile
CID 4195993
2-amino-7,9-dimethyl-4-phenyl-4H-pyrano[2',3':4,5]thieno[2,3-b]pyridine-3-carbonitrile
CID 5211566
4-(4-Cyano-phenoxymethyl)-6-methyl-thieno[2,3-b]pyridine-2-carboxylic acid amide
CID 11702815
3-Amino-6-(3-methoxyphenyl)thieno[2,3-b]pyridine-2-carbonitrile
CID 71718991
3,6-Diamino-4-(2-methoxyphenyl)thieno[2,3-b]pyridine-2,5-dicarbonitrile
CID 51348273
3-Amino-6-(3-methoxyphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonitrile
CID 942046
3-Amino-6-cyclopropyl-4-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 694347

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-cyclopropyl-4-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carbonitrile?
The IUPAC name of 3-amino-6-cyclopropyl-4-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carbonitrile (CID 869172) is 3-amino-6-cyclopropyl-4-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carbonitrile.
What is the SMILES notation for 3-amino-6-cyclopropyl-4-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carbonitrile?
The canonical SMILES for 3-amino-6-cyclopropyl-4-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carbonitrile is COc1ccc(-c2cc(C3CC3)nc3sc(C#N)c(N)c23)cc1.
What is the InChIKey of 3-amino-6-cyclopropyl-4-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carbonitrile?
The InChIKey is ARTRGOPQCSIMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3OS/c1-22-12-6-4-10(5-7-12)13-8-14(11-2-3-11)21-18-16(13)17(20)15(9-19)23-18/h4-8,11H,2-3,20H2,1H3.
What are the key properties of 3-amino-6-cyclopropyl-4-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carbonitrile?
3-amino-6-cyclopropyl-4-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carbonitrile has a molecular weight of 321.41 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-cyclopropyl-4-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carbonitrile is sourced from PubChem (CID 869172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).