5-[[(3-methyl-2-pyridinyl)amino]methyl]thiophene-3-carbonitrile

C12H11N3S — CID 115735493

IUPAC5-[[(3-methyl-2-pyridinyl)amino]methyl]thiophene-3-carbonitrile
SMILESCc1cccnc1NCc1cc(C#N)cs1
InChIInChI=1S/C12H11N3S/c1-9-3-2-4-14-12(9)15-7-11-5-10(6-13)8-16-11/h2-5,8H,7H2,1H3,(H,14,15)
InChIKeyZJAAARCUMWAIJQ-UHFFFAOYSA-N
MW229.31 g/mol
LogP2.94
Rot. Bonds3

About 5-[[(3-methyl-2-pyridinyl)amino]methyl]thiophene-3-carbonitrile

5-[[(3-methyl-2-pyridinyl)amino]methyl]thiophene-3-carbonitrile (PubChem CID 115735493) has the molecular formula C12H11N3S and a molecular weight of 229.31 g/mol. Its IUPAC name is 5-[[(3-methyl-2-pyridinyl)amino]methyl]thiophene-3-carbonitrile.

Molecular Properties

Compound Name5-[[(3-methyl-2-pyridinyl)amino]methyl]thiophene-3-carbonitrile
PubChem CID115735493
Molecular FormulaC12H11N3S
Molecular Weight229.31 g/mol
Exact Mass229.07
IUPAC Name5-[[(3-methyl-2-pyridinyl)amino]methyl]thiophene-3-carbonitrile
SMILESCc1cccnc1NCc1cc(C#N)cs1
InChIInChI=1S/C12H11N3S/c1-9-3-2-4-14-12(9)15-7-11-5-10(6-13)8-16-11/h2-5,8H,7H2,1H3,(H,14,15)
InChIKeyZJAAARCUMWAIJQ-UHFFFAOYSA-N
XLogP2.94
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.31
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[[(3-methyl-2-pyridinyl)amino]methyl]thiophene-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[[(2-methyl-3-pyridinyl)amino]methyl]thiophene-3-carbonitrile
CID 79614650
4-[[(3-methyl-2-pyridinyl)amino]methyl]benzonitrile
CID 60704932
5-[[(4-methyl-2-pyridinyl)amino]methyl]thiophene-3-carbonitrile
CID 115735515
5-[(2-cyano-3-methylanilino)methyl]thiophene-3-carbonitrile
CID 107803270
5-[(pyridin-3-ylamino)methyl]thiophene-3-carbonitrile
CID 79606035
3-methyl-N-(1,3-thiazol-5-ylmethyl)pyridin-2-amine
CID 115735497
5-[(4-iodo-2-methylanilino)methyl]thiophene-3-carbonitrile
CID 79613761
5-[[(2,5-dimethylpyrrol-1-yl)amino]methyl]thiophene-3-carbonitrile
CID 79613805
5-[(2-methylsulfanylanilino)methyl]thiophene-3-carbonitrile
CID 79614263
5-[[(6-bromo-3-pyridinyl)amino]methyl]thiophene-3-carbonitrile
CID 115925174
5-[(2-propan-2-ylanilino)methyl]thiophene-3-carbonitrile
CID 79605584
5-[[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)amino]methyl]thiophene-3-carbonitrile
CID 79553159

Frequently Asked Questions

What is the IUPAC name of 5-[[(3-methyl-2-pyridinyl)amino]methyl]thiophene-3-carbonitrile?
The IUPAC name of 5-[[(3-methyl-2-pyridinyl)amino]methyl]thiophene-3-carbonitrile (CID 115735493) is 5-[[(3-methyl-2-pyridinyl)amino]methyl]thiophene-3-carbonitrile.
What is the SMILES notation for 5-[[(3-methyl-2-pyridinyl)amino]methyl]thiophene-3-carbonitrile?
The canonical SMILES for 5-[[(3-methyl-2-pyridinyl)amino]methyl]thiophene-3-carbonitrile is Cc1cccnc1NCc1cc(C#N)cs1.
What is the InChIKey of 5-[[(3-methyl-2-pyridinyl)amino]methyl]thiophene-3-carbonitrile?
The InChIKey is ZJAAARCUMWAIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3S/c1-9-3-2-4-14-12(9)15-7-11-5-10(6-13)8-16-11/h2-5,8H,7H2,1H3,(H,14,15).
What are the key properties of 5-[[(3-methyl-2-pyridinyl)amino]methyl]thiophene-3-carbonitrile?
5-[[(3-methyl-2-pyridinyl)amino]methyl]thiophene-3-carbonitrile has a molecular weight of 229.31 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3-methyl-2-pyridinyl)amino]methyl]thiophene-3-carbonitrile is sourced from PubChem (CID 115735493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).