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

C15H11N3OS — CID 71718991

IUPAC3-amino-6-(3-methoxyphenyl)thieno[2,3-b]pyridine-2-carbonitrile
SMILESCOc1cccc(-c2ccc3c(N)c(C#N)sc3n2)c1
InChIInChI=1S/C15H11N3OS/c1-19-10-4-2-3-9(7-10)12-6-5-11-14(17)13(8-16)20-15(11)18-12/h2-7H,17H2,1H3
InChIKeyYVNDPUMWCFHLOJ-UHFFFAOYSA-N
MW281.34 g/mol
LogP3.43
Rot. Bonds2

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

3-amino-6-(3-methoxyphenyl)thieno[2,3-b]pyridine-2-carbonitrile (PubChem CID 71718991) has the molecular formula C15H11N3OS and a molecular weight of 281.34 g/mol. Its IUPAC name is 3-amino-6-(3-methoxyphenyl)thieno[2,3-b]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-amino-6-(3-methoxyphenyl)thieno[2,3-b]pyridine-2-carbonitrile
PubChem CID71718991
Molecular FormulaC15H11N3OS
Molecular Weight281.34 g/mol
Exact Mass281.06
IUPAC Name3-amino-6-(3-methoxyphenyl)thieno[2,3-b]pyridine-2-carbonitrile
SMILESCOc1cccc(-c2ccc3c(N)c(C#N)sc3n2)c1
InChIInChI=1S/C15H11N3OS/c1-19-10-4-2-3-9(7-10)12-6-5-11-14(17)13(8-16)20-15(11)18-12/h2-7H,17H2,1H3
InChIKeyYVNDPUMWCFHLOJ-UHFFFAOYSA-N
XLogP3.43
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-Methoxyphenyl)-1,3-benzothiazole
CID 833673
6-Methoxy-2-methylthioquinoline-3-carbonitrile
CID 865458
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
2-Ethylsulfanyl-6-methoxy-quinoline-3-carbonitrile
CID 865459
3-Amino-6-(1,3-benzodioxol-5-yl)thieno[2,3-b]pyridine-2-carbonitrile
CID 943614
3-Amino-6-(3-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 49831181
3-Amino-6-cyclopropyl-4-(4-methoxyphenyl)-2-thieno[2,3-b]pyridinecarbonitrile
CID 869172
[3-Amino-6-(3-methoxyphenyl)thieno[2,3-b]pyridin-2-yl](4-fluorophenyl)methanone
CID 1003924
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

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(3-methoxyphenyl)thieno[2,3-b]pyridine-2-carbonitrile?
The IUPAC name of 3-amino-6-(3-methoxyphenyl)thieno[2,3-b]pyridine-2-carbonitrile (CID 71718991) is 3-amino-6-(3-methoxyphenyl)thieno[2,3-b]pyridine-2-carbonitrile.
What is the SMILES notation for 3-amino-6-(3-methoxyphenyl)thieno[2,3-b]pyridine-2-carbonitrile?
The canonical SMILES for 3-amino-6-(3-methoxyphenyl)thieno[2,3-b]pyridine-2-carbonitrile is COc1cccc(-c2ccc3c(N)c(C#N)sc3n2)c1.
What is the InChIKey of 3-amino-6-(3-methoxyphenyl)thieno[2,3-b]pyridine-2-carbonitrile?
The InChIKey is YVNDPUMWCFHLOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3OS/c1-19-10-4-2-3-9(7-10)12-6-5-11-14(17)13(8-16)20-15(11)18-12/h2-7H,17H2,1H3.
What are the key properties of 3-amino-6-(3-methoxyphenyl)thieno[2,3-b]pyridine-2-carbonitrile?
3-amino-6-(3-methoxyphenyl)thieno[2,3-b]pyridine-2-carbonitrile has a molecular weight of 281.34 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(3-methoxyphenyl)thieno[2,3-b]pyridine-2-carbonitrile is sourced from PubChem (CID 71718991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).