3-amino-6-methyl-4-phenylthieno[2,3-b]pyridine-2-carbonitrile

C15H11N3S — CID 749426

IUPAC3-amino-6-methyl-4-phenylthieno[2,3-b]pyridine-2-carbonitrile
SMILESCc1cc(-c2ccccc2)c2c(N)c(C#N)sc2n1
InChIInChI=1S/C15H11N3S/c1-9-7-11(10-5-3-2-4-6-10)13-14(17)12(8-16)19-15(13)18-9/h2-7H,17H2,1H3
InChIKeyRECLPXITWLKSRE-UHFFFAOYSA-N
MW265.34 g/mol
LogP3.73
Rot. Bonds1

About 3-amino-6-methyl-4-phenylthieno[2,3-b]pyridine-2-carbonitrile

3-amino-6-methyl-4-phenylthieno[2,3-b]pyridine-2-carbonitrile (PubChem CID 749426) has the molecular formula C15H11N3S and a molecular weight of 265.34 g/mol. Its IUPAC name is 3-amino-6-methyl-4-phenylthieno[2,3-b]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-amino-6-methyl-4-phenylthieno[2,3-b]pyridine-2-carbonitrile
PubChem CID749426
Molecular FormulaC15H11N3S
Molecular Weight265.34 g/mol
Exact Mass265.07
IUPAC Name3-amino-6-methyl-4-phenylthieno[2,3-b]pyridine-2-carbonitrile
SMILESCc1cc(-c2ccccc2)c2c(N)c(C#N)sc2n1
InChIInChI=1S/C15H11N3S/c1-9-7-11(10-5-3-2-4-6-10)13-14(17)12(8-16)19-15(13)18-9/h2-7H,17H2,1H3
InChIKeyRECLPXITWLKSRE-UHFFFAOYSA-N
XLogP3.73
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-6-phenyl-4-pyridin-3-ylthieno[2,3-b]pyridine-2-carbonitrile
CID 10664042
3-amino-6-methyl-N-(3-methylphenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 1178305
3-amino-8-phenyl-5-thia-7-azatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7-tetraene-4-carbonitrile
CID 1472699
11-methyl-13-phenyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-6-amine
CID 13297345
6-methyl-4-(4-methylphenyl)-3-phenylthieno[2,3-b]pyridine
CID 141284004
3,6-dimethyl-4-phenyl-[1,2]thiazolo[5,4-b]pyridine
CID 129096994
[3-amino-4-[4-(dimethylamino)phenyl]-6-methylthieno[2,3-b]pyridin-2-yl]-phenylmethanone
CID 144756269
3,6-diamino-4-(2-chlorophenyl)thieno[2,3-b]pyridine-2,5-dicarbonitrile
CID 51348276
13-amino-11-(4-methylphenyl)-15-thia-8,9,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,8,11,13,16-octaene-14-carbonitrile
CID 23731480
4-amino-5-methyl-2-phenylthieno[2,3-d]pyrimidin-1-ium-6-carbonitrile
CID 4751889
11,13-dimethyl-4-oxo-6-phenyl-8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaene-5-carbonitrile
CID 172635295
3-amino-4,6-diphenylthieno[2,3-b]pyridine-2-carboxylic acid
CID 683021

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-methyl-4-phenylthieno[2,3-b]pyridine-2-carbonitrile?
The IUPAC name of 3-amino-6-methyl-4-phenylthieno[2,3-b]pyridine-2-carbonitrile (CID 749426) is 3-amino-6-methyl-4-phenylthieno[2,3-b]pyridine-2-carbonitrile.
What is the SMILES notation for 3-amino-6-methyl-4-phenylthieno[2,3-b]pyridine-2-carbonitrile?
The canonical SMILES for 3-amino-6-methyl-4-phenylthieno[2,3-b]pyridine-2-carbonitrile is Cc1cc(-c2ccccc2)c2c(N)c(C#N)sc2n1.
What is the InChIKey of 3-amino-6-methyl-4-phenylthieno[2,3-b]pyridine-2-carbonitrile?
The InChIKey is RECLPXITWLKSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3S/c1-9-7-11(10-5-3-2-4-6-10)13-14(17)12(8-16)19-15(13)18-9/h2-7H,17H2,1H3.
What are the key properties of 3-amino-6-methyl-4-phenylthieno[2,3-b]pyridine-2-carbonitrile?
3-amino-6-methyl-4-phenylthieno[2,3-b]pyridine-2-carbonitrile has a molecular weight of 265.34 g/mol, XLogP of 3.73, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-methyl-4-phenylthieno[2,3-b]pyridine-2-carbonitrile is sourced from PubChem (CID 749426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).