4-[(thiophen-3-ylamino)methyl]pyridine-2-carbonitrile

C11H9N3S — CID 66352811

IUPAC4-[(thiophen-3-ylamino)methyl]pyridine-2-carbonitrile
SMILESN#Cc1cc(CNc2ccsc2)ccn1
InChIInChI=1S/C11H9N3S/c12-6-11-5-9(1-3-13-11)7-14-10-2-4-15-8-10/h1-5,8,14H,7H2
InChIKeyHXEBAVSLKCYOSW-UHFFFAOYSA-N
MW215.28 g/mol
LogP2.63
Rot. Bonds3

About 4-[(thiophen-3-ylamino)methyl]pyridine-2-carbonitrile

4-[(thiophen-3-ylamino)methyl]pyridine-2-carbonitrile (PubChem CID 66352811) has the molecular formula C11H9N3S and a molecular weight of 215.28 g/mol. Its IUPAC name is 4-[(thiophen-3-ylamino)methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[(thiophen-3-ylamino)methyl]pyridine-2-carbonitrile
PubChem CID66352811
Molecular FormulaC11H9N3S
Molecular Weight215.28 g/mol
Exact Mass215.05
IUPAC Name4-[(thiophen-3-ylamino)methyl]pyridine-2-carbonitrile
SMILESN#Cc1cc(CNc2ccsc2)ccn1
InChIInChI=1S/C11H9N3S/c12-6-11-5-9(1-3-13-11)7-14-10-2-4-15-8-10/h1-5,8,14H,7H2
InChIKeyHXEBAVSLKCYOSW-UHFFFAOYSA-N
XLogP2.63
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(thiophen-3-ylamino)methyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[(thiophen-3-ylamino)methyl]pyridine-2-carbonitrile (CID 66352811) is 4-[(thiophen-3-ylamino)methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[(thiophen-3-ylamino)methyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[(thiophen-3-ylamino)methyl]pyridine-2-carbonitrile is N#Cc1cc(CNc2ccsc2)ccn1.
What is the InChIKey of 4-[(thiophen-3-ylamino)methyl]pyridine-2-carbonitrile?
The InChIKey is HXEBAVSLKCYOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3S/c12-6-11-5-9(1-3-13-11)7-14-10-2-4-15-8-10/h1-5,8,14H,7H2.
What are the key properties of 4-[(thiophen-3-ylamino)methyl]pyridine-2-carbonitrile?
4-[(thiophen-3-ylamino)methyl]pyridine-2-carbonitrile has a molecular weight of 215.28 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(thiophen-3-ylamino)methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 66352811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).