2-[methyl(1-thiophen-3-ylpropan-2-yl)amino]pyridine-3-carbonitrile

C14H15N3S — CID 133356712

IUPAC2-[methyl(1-thiophen-3-ylpropan-2-yl)amino]pyridine-3-carbonitrile
SMILESCC(Cc1ccsc1)N(C)c1ncccc1C#N
InChIInChI=1S/C14H15N3S/c1-11(8-12-5-7-18-10-12)17(2)14-13(9-15)4-3-6-16-14/h3-7,10-11H,8H2,1-2H3
InChIKeyCSUZYWVWZIIREZ-UHFFFAOYSA-N
MW257.36 g/mol
LogP3.08
Rot. Bonds4

About 2-[methyl(1-thiophen-3-ylpropan-2-yl)amino]pyridine-3-carbonitrile

2-[methyl(1-thiophen-3-ylpropan-2-yl)amino]pyridine-3-carbonitrile (PubChem CID 133356712) has the molecular formula C14H15N3S and a molecular weight of 257.36 g/mol. Its IUPAC name is 2-[methyl(1-thiophen-3-ylpropan-2-yl)amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[methyl(1-thiophen-3-ylpropan-2-yl)amino]pyridine-3-carbonitrile
PubChem CID133356712
Molecular FormulaC14H15N3S
Molecular Weight257.36 g/mol
Exact Mass257.10
IUPAC Name2-[methyl(1-thiophen-3-ylpropan-2-yl)amino]pyridine-3-carbonitrile
SMILESCC(Cc1ccsc1)N(C)c1ncccc1C#N
InChIInChI=1S/C14H15N3S/c1-11(8-12-5-7-18-10-12)17(2)14-13(9-15)4-3-6-16-14/h3-7,10-11H,8H2,1-2H3
InChIKeyCSUZYWVWZIIREZ-UHFFFAOYSA-N
XLogP3.08
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(1-thiophen-3-ylpropan-2-yl)amino]pyridine-3-carbonitrile?
The IUPAC name of 2-[methyl(1-thiophen-3-ylpropan-2-yl)amino]pyridine-3-carbonitrile (CID 133356712) is 2-[methyl(1-thiophen-3-ylpropan-2-yl)amino]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[methyl(1-thiophen-3-ylpropan-2-yl)amino]pyridine-3-carbonitrile?
The canonical SMILES for 2-[methyl(1-thiophen-3-ylpropan-2-yl)amino]pyridine-3-carbonitrile is CC(Cc1ccsc1)N(C)c1ncccc1C#N.
What is the InChIKey of 2-[methyl(1-thiophen-3-ylpropan-2-yl)amino]pyridine-3-carbonitrile?
The InChIKey is CSUZYWVWZIIREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3S/c1-11(8-12-5-7-18-10-12)17(2)14-13(9-15)4-3-6-16-14/h3-7,10-11H,8H2,1-2H3.
What are the key properties of 2-[methyl(1-thiophen-3-ylpropan-2-yl)amino]pyridine-3-carbonitrile?
2-[methyl(1-thiophen-3-ylpropan-2-yl)amino]pyridine-3-carbonitrile has a molecular weight of 257.36 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(1-thiophen-3-ylpropan-2-yl)amino]pyridine-3-carbonitrile is sourced from PubChem (CID 133356712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).