N-[4-(thiophene-2-carbonylamino)phenyl]pyridine-3-carboxamide

C17H13N3O2S — CID 668683

IUPACN-[4-(thiophene-2-carbonylamino)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(NC(=O)c2cccs2)cc1)c1cccnc1
InChIInChI=1S/C17H13N3O2S/c21-16(12-3-1-9-18-11-12)19-13-5-7-14(8-6-13)20-17(22)15-4-2-10-23-15/h1-11H,(H,19,21)(H,20,22)
InChIKeyLXIIQPWMPXSBAN-UHFFFAOYSA-N
MW323.38 g/mol
LogP3.65
Rot. Bonds4

About N-[4-(thiophene-2-carbonylamino)phenyl]pyridine-3-carboxamide

N-[4-(thiophene-2-carbonylamino)phenyl]pyridine-3-carboxamide (PubChem CID 668683) has the molecular formula C17H13N3O2S and a molecular weight of 323.38 g/mol. Its IUPAC name is N-[4-(thiophene-2-carbonylamino)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(thiophene-2-carbonylamino)phenyl]pyridine-3-carboxamide
PubChem CID668683
Molecular FormulaC17H13N3O2S
Molecular Weight323.38 g/mol
Exact Mass323.07
IUPAC NameN-[4-(thiophene-2-carbonylamino)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(NC(=O)c2cccs2)cc1)c1cccnc1
InChIInChI=1S/C17H13N3O2S/c21-16(12-3-1-9-18-11-12)19-13-5-7-14(8-6-13)20-17(22)15-4-2-10-23-15/h1-11H,(H,19,21)(H,20,22)
InChIKeyLXIIQPWMPXSBAN-UHFFFAOYSA-N
XLogP3.65
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.38
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(thiophene-2-carbonylamino)phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[4-(thiophene-2-carbonylamino)phenyl]pyridine-3-carboxamide (CID 668683) is N-[4-(thiophene-2-carbonylamino)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-(thiophene-2-carbonylamino)phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[4-(thiophene-2-carbonylamino)phenyl]pyridine-3-carboxamide is O=C(Nc1ccc(NC(=O)c2cccs2)cc1)c1cccnc1.
What is the InChIKey of N-[4-(thiophene-2-carbonylamino)phenyl]pyridine-3-carboxamide?
The InChIKey is LXIIQPWMPXSBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2S/c21-16(12-3-1-9-18-11-12)19-13-5-7-14(8-6-13)20-17(22)15-4-2-10-23-15/h1-11H,(H,19,21)(H,20,22).
What are the key properties of N-[4-(thiophene-2-carbonylamino)phenyl]pyridine-3-carboxamide?
N-[4-(thiophene-2-carbonylamino)phenyl]pyridine-3-carboxamide has a molecular weight of 323.38 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 N-[4-(thiophene-2-carbonylamino)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 668683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).