2-amino-6-(pyridine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile

C14H12N4OS — CID 82098267

IUPAC2-amino-6-(pyridine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
SMILESN#Cc1c(N)sc2c1CCN(C(=O)c1ccncc1)C2
InChIInChI=1S/C14H12N4OS/c15-7-11-10-3-6-18(8-12(10)20-13(11)16)14(19)9-1-4-17-5-2-9/h1-2,4-5H,3,6,8,16H2
InChIKeyHTLIFXPNIHFTGF-UHFFFAOYSA-N
MW284.34 g/mol
LogP1.80
Rot. Bonds1

About 2-amino-6-(pyridine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile

2-amino-6-(pyridine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile (PubChem CID 82098267) has the molecular formula C14H12N4OS and a molecular weight of 284.34 g/mol. Its IUPAC name is 2-amino-6-(pyridine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(pyridine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
PubChem CID82098267
Molecular FormulaC14H12N4OS
Molecular Weight284.34 g/mol
Exact Mass284.07
IUPAC Name2-amino-6-(pyridine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
SMILESN#Cc1c(N)sc2c1CCN(C(=O)c1ccncc1)C2
InChIInChI=1S/C14H12N4OS/c15-7-11-10-3-6-18(8-12(10)20-13(11)16)14(19)9-1-4-17-5-2-9/h1-2,4-5H,3,6,8,16H2
InChIKeyHTLIFXPNIHFTGF-UHFFFAOYSA-N
XLogP1.80
TPSA83.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(pyridine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(pyridine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile (CID 82098267) is 2-amino-6-(pyridine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(pyridine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(pyridine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile is N#Cc1c(N)sc2c1CCN(C(=O)c1ccncc1)C2.
What is the InChIKey of 2-amino-6-(pyridine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile?
The InChIKey is HTLIFXPNIHFTGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4OS/c15-7-11-10-3-6-18(8-12(10)20-13(11)16)14(19)9-1-4-17-5-2-9/h1-2,4-5H,3,6,8,16H2.
What are the key properties of 2-amino-6-(pyridine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile?
2-amino-6-(pyridine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile has a molecular weight of 284.34 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(pyridine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile is sourced from PubChem (CID 82098267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).