4-(1-benzothiophen-5-ylamino)pyridine-2-carbonitrile

C14H9N3S — CID 65475338

IUPAC4-(1-benzothiophen-5-ylamino)pyridine-2-carbonitrile
SMILESN#Cc1cc(Nc2ccc3sccc3c2)ccn1
InChIInChI=1S/C14H9N3S/c15-9-13-8-12(3-5-16-13)17-11-1-2-14-10(7-11)4-6-18-14/h1-8H,(H,16,17)
InChIKeyRIFROVADRFUXIV-UHFFFAOYSA-N
MW251.31 g/mol
LogP3.91
Rot. Bonds2

About 4-(1-benzothiophen-5-ylamino)pyridine-2-carbonitrile

4-(1-benzothiophen-5-ylamino)pyridine-2-carbonitrile (PubChem CID 65475338) has the molecular formula C14H9N3S and a molecular weight of 251.31 g/mol. Its IUPAC name is 4-(1-benzothiophen-5-ylamino)pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-(1-benzothiophen-5-ylamino)pyridine-2-carbonitrile
PubChem CID65475338
Molecular FormulaC14H9N3S
Molecular Weight251.31 g/mol
Exact Mass251.05
IUPAC Name4-(1-benzothiophen-5-ylamino)pyridine-2-carbonitrile
SMILESN#Cc1cc(Nc2ccc3sccc3c2)ccn1
InChIInChI=1S/C14H9N3S/c15-9-13-8-12(3-5-16-13)17-11-1-2-14-10(7-11)4-6-18-14/h1-8H,(H,16,17)
InChIKeyRIFROVADRFUXIV-UHFFFAOYSA-N
XLogP3.91
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(thiophen-3-ylamino)pyridine-2-carbonitrile
CID 66353511
3-(1-benzothiophen-5-ylamino)-5-bromobenzonitrile
CID 102816657
4-(4-tert-butylanilino)pyridine-2-carbonitrile
CID 62926534
N-(1-benzothiophen-5-yl)-2-chloropyrimidin-4-amine
CID 65453391
4-[4-(dimethylamino)anilino]pyridine-2-carbonitrile
CID 62925124
4-(3-fluoro-4-methoxyanilino)pyridine-2-carbonitrile
CID 62927039
4-(methylamino)pyridine-2-carbonitrile
CID 45079907
4-(4-propylanilino)pyridine-2-carbonitrile
CID 62924957
4-(1-benzothiophen-5-ylamino)-3-chlorobenzonitrile
CID 65474945
2-(1-benzothiophen-5-ylamino)-4-bromobenzonitrile
CID 114901953
2-(1-benzothiophen-5-ylamino)-5-chlorobenzonitrile
CID 65475337
4-[2-(1,3-thiazol-2-yl)ethylamino]pyridine-2-carbonitrile
CID 63242090

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzothiophen-5-ylamino)pyridine-2-carbonitrile?
The IUPAC name of 4-(1-benzothiophen-5-ylamino)pyridine-2-carbonitrile (CID 65475338) is 4-(1-benzothiophen-5-ylamino)pyridine-2-carbonitrile.
What is the SMILES notation for 4-(1-benzothiophen-5-ylamino)pyridine-2-carbonitrile?
The canonical SMILES for 4-(1-benzothiophen-5-ylamino)pyridine-2-carbonitrile is N#Cc1cc(Nc2ccc3sccc3c2)ccn1.
What is the InChIKey of 4-(1-benzothiophen-5-ylamino)pyridine-2-carbonitrile?
The InChIKey is RIFROVADRFUXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3S/c15-9-13-8-12(3-5-16-13)17-11-1-2-14-10(7-11)4-6-18-14/h1-8H,(H,16,17).
What are the key properties of 4-(1-benzothiophen-5-ylamino)pyridine-2-carbonitrile?
4-(1-benzothiophen-5-ylamino)pyridine-2-carbonitrile has a molecular weight of 251.31 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzothiophen-5-ylamino)pyridine-2-carbonitrile is sourced from PubChem (CID 65475338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).