2-[(4-methyl-2-pyridinyl)amino]-5-phenylthiophene-3-carboxamide

C17H15N3OS — CID 25127139

IUPAC2-[(4-methyl-2-pyridinyl)amino]-5-phenylthiophene-3-carboxamide
SMILESCc1ccnc(Nc2sc(-c3ccccc3)cc2C(N)=O)c1
InChIInChI=1S/C17H15N3OS/c1-11-7-8-19-15(9-11)20-17-13(16(18)21)10-14(22-17)12-5-3-2-4-6-12/h2-10H,1H3,(H2,18,21)(H,19,20)
InChIKeyVTXTZOSQVPMRAU-UHFFFAOYSA-N
MW309.39 g/mol
LogP3.96
Rot. Bonds4

About 2-[(4-methyl-2-pyridinyl)amino]-5-phenylthiophene-3-carboxamide

2-[(4-methyl-2-pyridinyl)amino]-5-phenylthiophene-3-carboxamide (PubChem CID 25127139) has the molecular formula C17H15N3OS and a molecular weight of 309.39 g/mol. Its IUPAC name is 2-[(4-methyl-2-pyridinyl)amino]-5-phenylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-[(4-methyl-2-pyridinyl)amino]-5-phenylthiophene-3-carboxamide
PubChem CID25127139
Molecular FormulaC17H15N3OS
Molecular Weight309.39 g/mol
Exact Mass309.09
IUPAC Name2-[(4-methyl-2-pyridinyl)amino]-5-phenylthiophene-3-carboxamide
SMILESCc1ccnc(Nc2sc(-c3ccccc3)cc2C(N)=O)c1
InChIInChI=1S/C17H15N3OS/c1-11-7-8-19-15(9-11)20-17-13(16(18)21)10-14(22-17)12-5-3-2-4-6-12/h2-10H,1H3,(H2,18,21)(H,19,20)
InChIKeyVTXTZOSQVPMRAU-UHFFFAOYSA-N
XLogP3.96
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-2-pyridinyl)amino]-5-phenylthiophene-3-carboxamide?
The IUPAC name of 2-[(4-methyl-2-pyridinyl)amino]-5-phenylthiophene-3-carboxamide (CID 25127139) is 2-[(4-methyl-2-pyridinyl)amino]-5-phenylthiophene-3-carboxamide.
What is the SMILES notation for 2-[(4-methyl-2-pyridinyl)amino]-5-phenylthiophene-3-carboxamide?
The canonical SMILES for 2-[(4-methyl-2-pyridinyl)amino]-5-phenylthiophene-3-carboxamide is Cc1ccnc(Nc2sc(-c3ccccc3)cc2C(N)=O)c1.
What is the InChIKey of 2-[(4-methyl-2-pyridinyl)amino]-5-phenylthiophene-3-carboxamide?
The InChIKey is VTXTZOSQVPMRAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3OS/c1-11-7-8-19-15(9-11)20-17-13(16(18)21)10-14(22-17)12-5-3-2-4-6-12/h2-10H,1H3,(H2,18,21)(H,19,20).
What are the key properties of 2-[(4-methyl-2-pyridinyl)amino]-5-phenylthiophene-3-carboxamide?
2-[(4-methyl-2-pyridinyl)amino]-5-phenylthiophene-3-carboxamide has a molecular weight of 309.39 g/mol, XLogP of 3.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-2-pyridinyl)amino]-5-phenylthiophene-3-carboxamide is sourced from PubChem (CID 25127139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).