5-phenyl-2-(pyridin-3-ylamino)thiophene-3-carboxamide

C16H13N3OS — CID 44610371

IUPAC5-phenyl-2-(pyridin-3-ylamino)thiophene-3-carboxamide
SMILESNC(=O)c1cc(-c2ccccc2)sc1Nc1cccnc1
InChIInChI=1S/C16H13N3OS/c17-15(20)13-9-14(11-5-2-1-3-6-11)21-16(13)19-12-7-4-8-18-10-12/h1-10,19H,(H2,17,20)
InChIKeyBNDJKXPGRLDHFV-UHFFFAOYSA-N
MW295.37 g/mol
LogP3.65
Rot. Bonds4

About 5-phenyl-2-(pyridin-3-ylamino)thiophene-3-carboxamide

5-phenyl-2-(pyridin-3-ylamino)thiophene-3-carboxamide (PubChem CID 44610371) has the molecular formula C16H13N3OS and a molecular weight of 295.37 g/mol. Its IUPAC name is 5-phenyl-2-(pyridin-3-ylamino)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-phenyl-2-(pyridin-3-ylamino)thiophene-3-carboxamide
PubChem CID44610371
Molecular FormulaC16H13N3OS
Molecular Weight295.37 g/mol
Exact Mass295.08
IUPAC Name5-phenyl-2-(pyridin-3-ylamino)thiophene-3-carboxamide
SMILESNC(=O)c1cc(-c2ccccc2)sc1Nc1cccnc1
InChIInChI=1S/C16H13N3OS/c17-15(20)13-9-14(11-5-2-1-3-6-11)21-16(13)19-12-7-4-8-18-10-12/h1-10,19H,(H2,17,20)
InChIKeyBNDJKXPGRLDHFV-UHFFFAOYSA-N
XLogP3.65
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2-(pyridin-3-ylamino)thiophene-3-carboxamide?
The IUPAC name of 5-phenyl-2-(pyridin-3-ylamino)thiophene-3-carboxamide (CID 44610371) is 5-phenyl-2-(pyridin-3-ylamino)thiophene-3-carboxamide.
What is the SMILES notation for 5-phenyl-2-(pyridin-3-ylamino)thiophene-3-carboxamide?
The canonical SMILES for 5-phenyl-2-(pyridin-3-ylamino)thiophene-3-carboxamide is NC(=O)c1cc(-c2ccccc2)sc1Nc1cccnc1.
What is the InChIKey of 5-phenyl-2-(pyridin-3-ylamino)thiophene-3-carboxamide?
The InChIKey is BNDJKXPGRLDHFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3OS/c17-15(20)13-9-14(11-5-2-1-3-6-11)21-16(13)19-12-7-4-8-18-10-12/h1-10,19H,(H2,17,20).
What are the key properties of 5-phenyl-2-(pyridin-3-ylamino)thiophene-3-carboxamide?
5-phenyl-2-(pyridin-3-ylamino)thiophene-3-carboxamide has a molecular weight of 295.37 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-2-(pyridin-3-ylamino)thiophene-3-carboxamide is sourced from PubChem (CID 44610371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).