5-[[(6-methyl-2-pyridinyl)methylamino]methyl]thiophene-3-carbonitrile

C13H13N3S — CID 79552994

IUPAC5-[[(6-methyl-2-pyridinyl)methylamino]methyl]thiophene-3-carbonitrile
SMILESCc1cccc(CNCc2cc(C#N)cs2)n1
InChIInChI=1S/C13H13N3S/c1-10-3-2-4-12(16-10)7-15-8-13-5-11(6-14)9-17-13/h2-5,9,15H,7-8H2,1H3
InChIKeySKDQRVKYFIQLEH-UHFFFAOYSA-N
MW243.34 g/mol
LogP2.61
Rot. Bonds4

About 5-[[(6-methyl-2-pyridinyl)methylamino]methyl]thiophene-3-carbonitrile

5-[[(6-methyl-2-pyridinyl)methylamino]methyl]thiophene-3-carbonitrile (PubChem CID 79552994) has the molecular formula C13H13N3S and a molecular weight of 243.34 g/mol. Its IUPAC name is 5-[[(6-methyl-2-pyridinyl)methylamino]methyl]thiophene-3-carbonitrile.

Molecular Properties

Compound Name5-[[(6-methyl-2-pyridinyl)methylamino]methyl]thiophene-3-carbonitrile
PubChem CID79552994
Molecular FormulaC13H13N3S
Molecular Weight243.34 g/mol
Exact Mass243.08
IUPAC Name5-[[(6-methyl-2-pyridinyl)methylamino]methyl]thiophene-3-carbonitrile
SMILESCc1cccc(CNCc2cc(C#N)cs2)n1
InChIInChI=1S/C13H13N3S/c1-10-3-2-4-12(16-10)7-15-8-13-5-11(6-14)9-17-13/h2-5,9,15H,7-8H2,1H3
InChIKeySKDQRVKYFIQLEH-UHFFFAOYSA-N
XLogP2.61
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.34
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]thiophene-3-carbonitrile
CID 79553621
1-(6-methyl-2-pyridinyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 15491901
5-[[(2,5-dimethylpyrrol-1-yl)amino]methyl]thiophene-3-carbonitrile
CID 79613805
5-[(2-cyano-3-methylanilino)methyl]thiophene-3-carbonitrile
CID 107803270
N-[(5-bromothiophen-3-yl)methyl]-1-(6-methyl-2-pyridinyl)methanamine
CID 60962321
5-[[(4-fluorophenyl)methylamino]methyl]thiophene-3-carbonitrile
CID 79545257
5-[[(4-bromophenyl)methylamino]methyl]thiophene-3-carbonitrile
CID 79553080
5-[[(4-chlorophenyl)methylamino]methyl]thiophene-3-carbonitrile
CID 79545494
2-[(6-methyl-2-pyridinyl)methylamino]pyridine-4-carbonitrile
CID 62307193
2-methyl-3-[(6-methyl-2-pyridinyl)methylamino]propanenitrile
CID 62321970
5-[[(2-methyl-2-methylsulfanylpropyl)amino]methyl]thiophene-3-carbonitrile
CID 115673680
5-[(sulfanylamino)methyl]thiophene-3-carbonitrile
CID 163226439

Frequently Asked Questions

What is the IUPAC name of 5-[[(6-methyl-2-pyridinyl)methylamino]methyl]thiophene-3-carbonitrile?
The IUPAC name of 5-[[(6-methyl-2-pyridinyl)methylamino]methyl]thiophene-3-carbonitrile (CID 79552994) is 5-[[(6-methyl-2-pyridinyl)methylamino]methyl]thiophene-3-carbonitrile.
What is the SMILES notation for 5-[[(6-methyl-2-pyridinyl)methylamino]methyl]thiophene-3-carbonitrile?
The canonical SMILES for 5-[[(6-methyl-2-pyridinyl)methylamino]methyl]thiophene-3-carbonitrile is Cc1cccc(CNCc2cc(C#N)cs2)n1.
What is the InChIKey of 5-[[(6-methyl-2-pyridinyl)methylamino]methyl]thiophene-3-carbonitrile?
The InChIKey is SKDQRVKYFIQLEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3S/c1-10-3-2-4-12(16-10)7-15-8-13-5-11(6-14)9-17-13/h2-5,9,15H,7-8H2,1H3.
What are the key properties of 5-[[(6-methyl-2-pyridinyl)methylamino]methyl]thiophene-3-carbonitrile?
5-[[(6-methyl-2-pyridinyl)methylamino]methyl]thiophene-3-carbonitrile has a molecular weight of 243.34 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(6-methyl-2-pyridinyl)methylamino]methyl]thiophene-3-carbonitrile is sourced from PubChem (CID 79552994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).