6-[(4,5-dimethylthiophen-2-yl)methylamino]pyridine-3-carbonitrile

C13H13N3S — CID 65243809

IUPAC6-[(4,5-dimethylthiophen-2-yl)methylamino]pyridine-3-carbonitrile
SMILESCc1cc(CNc2ccc(C#N)cn2)sc1C
InChIInChI=1S/C13H13N3S/c1-9-5-12(17-10(9)2)8-16-13-4-3-11(6-14)7-15-13/h3-5,7H,8H2,1-2H3,(H,15,16)
InChIKeyMLTQRWTVUZYCMB-UHFFFAOYSA-N
MW243.34 g/mol
LogP3.24
Rot. Bonds3

About 6-[(4,5-dimethylthiophen-2-yl)methylamino]pyridine-3-carbonitrile

6-[(4,5-dimethylthiophen-2-yl)methylamino]pyridine-3-carbonitrile (PubChem CID 65243809) has the molecular formula C13H13N3S and a molecular weight of 243.34 g/mol. Its IUPAC name is 6-[(4,5-dimethylthiophen-2-yl)methylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[(4,5-dimethylthiophen-2-yl)methylamino]pyridine-3-carbonitrile
PubChem CID65243809
Molecular FormulaC13H13N3S
Molecular Weight243.34 g/mol
Exact Mass243.08
IUPAC Name6-[(4,5-dimethylthiophen-2-yl)methylamino]pyridine-3-carbonitrile
SMILESCc1cc(CNc2ccc(C#N)cn2)sc1C
InChIInChI=1S/C13H13N3S/c1-9-5-12(17-10(9)2)8-16-13-4-3-11(6-14)7-15-13/h3-5,7H,8H2,1-2H3,(H,15,16)
InChIKeyMLTQRWTVUZYCMB-UHFFFAOYSA-N
XLogP3.24
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.34
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(4,5-dimethylthiophen-2-yl)methylamino]pyridine-3-carbonitrile?
The IUPAC name of 6-[(4,5-dimethylthiophen-2-yl)methylamino]pyridine-3-carbonitrile (CID 65243809) is 6-[(4,5-dimethylthiophen-2-yl)methylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[(4,5-dimethylthiophen-2-yl)methylamino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[(4,5-dimethylthiophen-2-yl)methylamino]pyridine-3-carbonitrile is Cc1cc(CNc2ccc(C#N)cn2)sc1C.
What is the InChIKey of 6-[(4,5-dimethylthiophen-2-yl)methylamino]pyridine-3-carbonitrile?
The InChIKey is MLTQRWTVUZYCMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3S/c1-9-5-12(17-10(9)2)8-16-13-4-3-11(6-14)7-15-13/h3-5,7H,8H2,1-2H3,(H,15,16).
What are the key properties of 6-[(4,5-dimethylthiophen-2-yl)methylamino]pyridine-3-carbonitrile?
6-[(4,5-dimethylthiophen-2-yl)methylamino]pyridine-3-carbonitrile has a molecular weight of 243.34 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4,5-dimethylthiophen-2-yl)methylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 65243809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).