2-[(5-cyano-2-pyridinyl)amino]-5-phenylthiophene-3-carboxamide

C17H12N4OS — CID 25127461

IUPAC2-[(5-cyano-2-pyridinyl)amino]-5-phenylthiophene-3-carboxamide
SMILESN#Cc1ccc(Nc2sc(-c3ccccc3)cc2C(N)=O)nc1
InChIInChI=1S/C17H12N4OS/c18-9-11-6-7-15(20-10-11)21-17-13(16(19)22)8-14(23-17)12-4-2-1-3-5-12/h1-8,10H,(H2,19,22)(H,20,21)
InChIKeyLNKJVBPMSIWNLF-UHFFFAOYSA-N
MW320.38 g/mol
LogP3.52
Rot. Bonds4

About 2-[(5-cyano-2-pyridinyl)amino]-5-phenylthiophene-3-carboxamide

2-[(5-cyano-2-pyridinyl)amino]-5-phenylthiophene-3-carboxamide (PubChem CID 25127461) has the molecular formula C17H12N4OS and a molecular weight of 320.38 g/mol. Its IUPAC name is 2-[(5-cyano-2-pyridinyl)amino]-5-phenylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-[(5-cyano-2-pyridinyl)amino]-5-phenylthiophene-3-carboxamide
PubChem CID25127461
Molecular FormulaC17H12N4OS
Molecular Weight320.38 g/mol
Exact Mass320.07
IUPAC Name2-[(5-cyano-2-pyridinyl)amino]-5-phenylthiophene-3-carboxamide
SMILESN#Cc1ccc(Nc2sc(-c3ccccc3)cc2C(N)=O)nc1
InChIInChI=1S/C17H12N4OS/c18-9-11-6-7-15(20-10-11)21-17-13(16(19)22)8-14(23-17)12-4-2-1-3-5-12/h1-8,10H,(H2,19,22)(H,20,21)
InChIKeyLNKJVBPMSIWNLF-UHFFFAOYSA-N
XLogP3.52
TPSA91.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.38
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-cyano-2-pyridinyl)amino]-5-phenylthiophene-3-carboxamide?
The IUPAC name of 2-[(5-cyano-2-pyridinyl)amino]-5-phenylthiophene-3-carboxamide (CID 25127461) is 2-[(5-cyano-2-pyridinyl)amino]-5-phenylthiophene-3-carboxamide.
What is the SMILES notation for 2-[(5-cyano-2-pyridinyl)amino]-5-phenylthiophene-3-carboxamide?
The canonical SMILES for 2-[(5-cyano-2-pyridinyl)amino]-5-phenylthiophene-3-carboxamide is N#Cc1ccc(Nc2sc(-c3ccccc3)cc2C(N)=O)nc1.
What is the InChIKey of 2-[(5-cyano-2-pyridinyl)amino]-5-phenylthiophene-3-carboxamide?
The InChIKey is LNKJVBPMSIWNLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4OS/c18-9-11-6-7-15(20-10-11)21-17-13(16(19)22)8-14(23-17)12-4-2-1-3-5-12/h1-8,10H,(H2,19,22)(H,20,21).
What are the key properties of 2-[(5-cyano-2-pyridinyl)amino]-5-phenylthiophene-3-carboxamide?
2-[(5-cyano-2-pyridinyl)amino]-5-phenylthiophene-3-carboxamide has a molecular weight of 320.38 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-cyano-2-pyridinyl)amino]-5-phenylthiophene-3-carboxamide is sourced from PubChem (CID 25127461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).