5-[(pyridin-3-ylamino)methyl]thiophene-3-carbonitrile

C11H9N3S — CID 79606035

IUPAC5-[(pyridin-3-ylamino)methyl]thiophene-3-carbonitrile
SMILESN#Cc1csc(CNc2cccnc2)c1
InChIInChI=1S/C11H9N3S/c12-5-9-4-11(15-8-9)7-14-10-2-1-3-13-6-10/h1-4,6,8,14H,7H2
InChIKeyMVCYEFWCVNPJRC-UHFFFAOYSA-N
MW215.28 g/mol
LogP2.63
Rot. Bonds3

About 5-[(pyridin-3-ylamino)methyl]thiophene-3-carbonitrile

5-[(pyridin-3-ylamino)methyl]thiophene-3-carbonitrile (PubChem CID 79606035) has the molecular formula C11H9N3S and a molecular weight of 215.28 g/mol. Its IUPAC name is 5-[(pyridin-3-ylamino)methyl]thiophene-3-carbonitrile.

Molecular Properties

Compound Name5-[(pyridin-3-ylamino)methyl]thiophene-3-carbonitrile
PubChem CID79606035
Molecular FormulaC11H9N3S
Molecular Weight215.28 g/mol
Exact Mass215.05
IUPAC Name5-[(pyridin-3-ylamino)methyl]thiophene-3-carbonitrile
SMILESN#Cc1csc(CNc2cccnc2)c1
InChIInChI=1S/C11H9N3S/c12-5-9-4-11(15-8-9)7-14-10-2-1-3-13-6-10/h1-4,6,8,14H,7H2
InChIKeyMVCYEFWCVNPJRC-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 5-[(pyridin-3-ylamino)methyl]thiophene-3-carbonitrile?
The IUPAC name of 5-[(pyridin-3-ylamino)methyl]thiophene-3-carbonitrile (CID 79606035) is 5-[(pyridin-3-ylamino)methyl]thiophene-3-carbonitrile.
What is the SMILES notation for 5-[(pyridin-3-ylamino)methyl]thiophene-3-carbonitrile?
The canonical SMILES for 5-[(pyridin-3-ylamino)methyl]thiophene-3-carbonitrile is N#Cc1csc(CNc2cccnc2)c1.
What is the InChIKey of 5-[(pyridin-3-ylamino)methyl]thiophene-3-carbonitrile?
The InChIKey is MVCYEFWCVNPJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3S/c12-5-9-4-11(15-8-9)7-14-10-2-1-3-13-6-10/h1-4,6,8,14H,7H2.
What are the key properties of 5-[(pyridin-3-ylamino)methyl]thiophene-3-carbonitrile?
5-[(pyridin-3-ylamino)methyl]thiophene-3-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 5-[(pyridin-3-ylamino)methyl]thiophene-3-carbonitrile is sourced from PubChem (CID 79606035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).