3-amino-6-cyclopropyl-4-phenylthieno[2,3-b]pyridine-2-carbonitrile

C17H13N3S — CID 747807

IUPAC3-amino-6-cyclopropyl-4-phenylthieno[2,3-b]pyridine-2-carbonitrile
SMILESN#Cc1sc2nc(C3CC3)cc(-c3ccccc3)c2c1N
InChIInChI=1S/C17H13N3S/c18-9-14-16(19)15-12(10-4-2-1-3-5-10)8-13(11-6-7-11)20-17(15)21-14/h1-5,8,11H,6-7,19H2
InChIKeyCJIOKDVXIJVQQW-UHFFFAOYSA-N
MW291.38 g/mol
LogP4.29
Rot. Bonds2

About 3-amino-6-cyclopropyl-4-phenylthieno[2,3-b]pyridine-2-carbonitrile

3-amino-6-cyclopropyl-4-phenylthieno[2,3-b]pyridine-2-carbonitrile (PubChem CID 747807) has the molecular formula C17H13N3S and a molecular weight of 291.38 g/mol. Its IUPAC name is 3-amino-6-cyclopropyl-4-phenylthieno[2,3-b]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-amino-6-cyclopropyl-4-phenylthieno[2,3-b]pyridine-2-carbonitrile
PubChem CID747807
Molecular FormulaC17H13N3S
Molecular Weight291.38 g/mol
Exact Mass291.08
IUPAC Name3-amino-6-cyclopropyl-4-phenylthieno[2,3-b]pyridine-2-carbonitrile
SMILESN#Cc1sc2nc(C3CC3)cc(-c3ccccc3)c2c1N
InChIInChI=1S/C17H13N3S/c18-9-14-16(19)15-12(10-4-2-1-3-5-10)8-13(11-6-7-11)20-17(15)21-14/h1-5,8,11H,6-7,19H2
InChIKeyCJIOKDVXIJVQQW-UHFFFAOYSA-N
XLogP4.29
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-cyclopropyl-4-phenylthieno[2,3-b]pyridine-2-carbonitrile?
The IUPAC name of 3-amino-6-cyclopropyl-4-phenylthieno[2,3-b]pyridine-2-carbonitrile (CID 747807) is 3-amino-6-cyclopropyl-4-phenylthieno[2,3-b]pyridine-2-carbonitrile.
What is the SMILES notation for 3-amino-6-cyclopropyl-4-phenylthieno[2,3-b]pyridine-2-carbonitrile?
The canonical SMILES for 3-amino-6-cyclopropyl-4-phenylthieno[2,3-b]pyridine-2-carbonitrile is N#Cc1sc2nc(C3CC3)cc(-c3ccccc3)c2c1N.
What is the InChIKey of 3-amino-6-cyclopropyl-4-phenylthieno[2,3-b]pyridine-2-carbonitrile?
The InChIKey is CJIOKDVXIJVQQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3S/c18-9-14-16(19)15-12(10-4-2-1-3-5-10)8-13(11-6-7-11)20-17(15)21-14/h1-5,8,11H,6-7,19H2.
What are the key properties of 3-amino-6-cyclopropyl-4-phenylthieno[2,3-b]pyridine-2-carbonitrile?
3-amino-6-cyclopropyl-4-phenylthieno[2,3-b]pyridine-2-carbonitrile has a molecular weight of 291.38 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-cyclopropyl-4-phenylthieno[2,3-b]pyridine-2-carbonitrile is sourced from PubChem (CID 747807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).