2-amino-5-(4-pyridin-4-ylphenyl)thiophene-3-carboxamide

C16H13N3OS — CID 59525720

IUPAC2-amino-5-(4-pyridin-4-ylphenyl)thiophene-3-carboxamide
SMILESNC(=O)c1cc(-c2ccc(-c3ccncc3)cc2)sc1N
InChIInChI=1S/C16H13N3OS/c17-15(20)13-9-14(21-16(13)18)12-3-1-10(2-4-12)11-5-7-19-8-6-11/h1-9H,18H2,(H2,17,20)
InChIKeyYRABUVVGLWEVQB-UHFFFAOYSA-N
MW295.37 g/mol
LogP3.16
Rot. Bonds3

About 2-amino-5-(4-pyridin-4-ylphenyl)thiophene-3-carboxamide

2-amino-5-(4-pyridin-4-ylphenyl)thiophene-3-carboxamide (PubChem CID 59525720) has the molecular formula C16H13N3OS and a molecular weight of 295.37 g/mol. Its IUPAC name is 2-amino-5-(4-pyridin-4-ylphenyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-(4-pyridin-4-ylphenyl)thiophene-3-carboxamide
PubChem CID59525720
Molecular FormulaC16H13N3OS
Molecular Weight295.37 g/mol
Exact Mass295.08
IUPAC Name2-amino-5-(4-pyridin-4-ylphenyl)thiophene-3-carboxamide
SMILESNC(=O)c1cc(-c2ccc(-c3ccncc3)cc2)sc1N
InChIInChI=1S/C16H13N3OS/c17-15(20)13-9-14(21-16(13)18)12-3-1-10(2-4-12)11-5-7-19-8-6-11/h1-9H,18H2,(H2,17,20)
InChIKeyYRABUVVGLWEVQB-UHFFFAOYSA-N
XLogP3.16
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(4-pyridin-4-ylphenyl)thiophene-3-carboxamide?
The IUPAC name of 2-amino-5-(4-pyridin-4-ylphenyl)thiophene-3-carboxamide (CID 59525720) is 2-amino-5-(4-pyridin-4-ylphenyl)thiophene-3-carboxamide.
What is the SMILES notation for 2-amino-5-(4-pyridin-4-ylphenyl)thiophene-3-carboxamide?
The canonical SMILES for 2-amino-5-(4-pyridin-4-ylphenyl)thiophene-3-carboxamide is NC(=O)c1cc(-c2ccc(-c3ccncc3)cc2)sc1N.
What is the InChIKey of 2-amino-5-(4-pyridin-4-ylphenyl)thiophene-3-carboxamide?
The InChIKey is YRABUVVGLWEVQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3OS/c17-15(20)13-9-14(21-16(13)18)12-3-1-10(2-4-12)11-5-7-19-8-6-11/h1-9H,18H2,(H2,17,20).
What are the key properties of 2-amino-5-(4-pyridin-4-ylphenyl)thiophene-3-carboxamide?
2-amino-5-(4-pyridin-4-ylphenyl)thiophene-3-carboxamide has a molecular weight of 295.37 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(4-pyridin-4-ylphenyl)thiophene-3-carboxamide is sourced from PubChem (CID 59525720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).