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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Chk1-IN-2
CID 11951901
N-(2-aminoethyl)-5-[2-[(3-methyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide
CID 57867446
N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)nicotinamide
CID 804510
4-{[4-Amino-5-(Pyridin-3-Ylcarbonyl)-1,3-Thiazol-2-Yl]amino}benzamide
CID 71662399
6-methyl-5-phenyl-2-(pyridin-3-yl)-3H,4H-thieno[2,3-d]pyrimidin-4-one
CID 852962
6-phenyl-2-pyridin-3-yl-3H-thieno[2,3-d]pyrimidin-4-one
CID 2106365
2-(2,2-dimethylpropanoylamino)-N-pyridin-2-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 2174274
5-ethyl-4-methyl-N-(3-methyl-2-pyridinyl)thiophene-2-carboxamide
CID 4789493
4-(2,5-dimethylthiophen-3-yl)-N-(4-methyl-2-pyridinyl)-4-oxobutanamide
CID 18106949
2-(butanoylamino)-N-(pyridin-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 3153379
6-phenyl-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one
CID 2099944
4-Amino-N-methyl-2-phenylthieno[3,2-c]pyridine-7-carboxamide
CID 10107882

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).