5-(5-amino-1-benzothiophen-2-yl)pyridine-3-carbonitrile

C14H9N3S — CID 121278983

IUPAC5-(5-amino-1-benzothiophen-2-yl)pyridine-3-carbonitrile
SMILESN#Cc1cncc(-c2cc3cc(N)ccc3s2)c1
InChIInChI=1S/C14H9N3S/c15-6-9-3-11(8-17-7-9)14-5-10-4-12(16)1-2-13(10)18-14/h1-5,7-8H,16H2
InChIKeyQKEIZINDRKGZEM-UHFFFAOYSA-N
MW251.31 g/mol
LogP3.42
Rot. Bonds1

About 5-(5-amino-1-benzothiophen-2-yl)pyridine-3-carbonitrile

5-(5-amino-1-benzothiophen-2-yl)pyridine-3-carbonitrile (PubChem CID 121278983) has the molecular formula C14H9N3S and a molecular weight of 251.31 g/mol. Its IUPAC name is 5-(5-amino-1-benzothiophen-2-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(5-amino-1-benzothiophen-2-yl)pyridine-3-carbonitrile
PubChem CID121278983
Molecular FormulaC14H9N3S
Molecular Weight251.31 g/mol
Exact Mass251.05
IUPAC Name5-(5-amino-1-benzothiophen-2-yl)pyridine-3-carbonitrile
SMILESN#Cc1cncc(-c2cc3cc(N)ccc3s2)c1
InChIInChI=1S/C14H9N3S/c15-6-9-3-11(8-17-7-9)14-5-10-4-12(16)1-2-13(10)18-14/h1-5,7-8H,16H2
InChIKeyQKEIZINDRKGZEM-UHFFFAOYSA-N
XLogP3.42
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-Amino-4-anilinothieno[2,3-b]pyridine-2-carbonitrile
CID 793761
(-)-(R)-N,N-dimethyl-2-(3-(1-(3-methylpyridin-2-yl)ethyl)benzo[b]thiophen-2-yl)ethanamine
CID 11500781
(+)-(S)-N,N-dimethyl-2-(3-(1-(pyridin-3-yl)ethyl)benzo[b]thiophen-2-yl)ethanamine
CID 11515125
(+)-(S)-N,N-dimethyl-2-(3-(1-(pyridin-2-yl)ethyl)benzo[b]thiophen-2-yl)ethanamine
CID 11551351
Benzo[B]thiophene-2-ethanamine, N,N-dimethyl-3-[1-(2-pyridinyl)ethyl]-
CID 11580426
Benzo(b)thiophene-2-ethanamine, N,N-dimethyl-3-((1R)-1-(2-pyridinyl)ethyl)-
CID 11580427
N,N-dimethyl-2-(3-(1-(pyridin-3-yl)ethyl)benzo[b]thiophen-2-yl)ethanamine
CID 11623756
rac-N,N-dimethyl-2-(3-(1-(pyridin-4-yl)ethyl)benzo[b]thiophen-2-yl)ethanamine
CID 11638166
(-)-(R)-N,N-dimethyl-2-(3-(1-(pyridin-3-yl)ethyl)benzo[b]thiophen-2-yl)ethanamine
CID 11659592
rac-N,N-dimethyl-2-(3-(1-(6-methylpyridin-3-yl)ethyl)benzo[b]thiophen-2-yl)ethanamine
CID 11681378
rac-N,N-dimethyl-2-(3-(1-(4-methylpyridin-2-yl)ethyl)benzo[b]thiophen-2-yl)ethanamine
CID 11702578
(-)-(R)-N-methyl-2-(3-(1-(pyridin-2-yl)ethyl)benzo[b]thiophen-2-yl)ethanamine
CID 46884062

Frequently Asked Questions

What is the IUPAC name of 5-(5-amino-1-benzothiophen-2-yl)pyridine-3-carbonitrile?
The IUPAC name of 5-(5-amino-1-benzothiophen-2-yl)pyridine-3-carbonitrile (CID 121278983) is 5-(5-amino-1-benzothiophen-2-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 5-(5-amino-1-benzothiophen-2-yl)pyridine-3-carbonitrile?
The canonical SMILES for 5-(5-amino-1-benzothiophen-2-yl)pyridine-3-carbonitrile is N#Cc1cncc(-c2cc3cc(N)ccc3s2)c1.
What is the InChIKey of 5-(5-amino-1-benzothiophen-2-yl)pyridine-3-carbonitrile?
The InChIKey is QKEIZINDRKGZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3S/c15-6-9-3-11(8-17-7-9)14-5-10-4-12(16)1-2-13(10)18-14/h1-5,7-8H,16H2.
What are the key properties of 5-(5-amino-1-benzothiophen-2-yl)pyridine-3-carbonitrile?
5-(5-amino-1-benzothiophen-2-yl)pyridine-3-carbonitrile has a molecular weight of 251.31 g/mol, XLogP of 3.42, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-amino-1-benzothiophen-2-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 121278983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).