N-[4-[5-(1,2,4-oxadiazol-3-yl)thiophen-2-yl]-2-pyridinyl]cyclopropanecarboxamide

C15H12N4O2S — CID 171921990

IUPACN-[4-[5-(1,2,4-oxadiazol-3-yl)thiophen-2-yl]-2-pyridinyl]cyclopropanecarboxamide
SMILESO=C(Nc1cc(-c2ccc(-c3ncon3)s2)ccn1)C1CC1
InChIInChI=1S/C15H12N4O2S/c20-15(9-1-2-9)18-13-7-10(5-6-16-13)11-3-4-12(22-11)14-17-8-21-19-14/h3-9H,1-2H2,(H,16,18,20)
InChIKeyMRPLZYZSVZVELT-UHFFFAOYSA-N
MW312.35 g/mol
LogP3.21
Rot. Bonds4

About N-[4-[5-(1,2,4-oxadiazol-3-yl)thiophen-2-yl]-2-pyridinyl]cyclopropanecarboxamide

N-[4-[5-(1,2,4-oxadiazol-3-yl)thiophen-2-yl]-2-pyridinyl]cyclopropanecarboxamide (PubChem CID 171921990) has the molecular formula C15H12N4O2S and a molecular weight of 312.35 g/mol. Its IUPAC name is N-[4-[5-(1,2,4-oxadiazol-3-yl)thiophen-2-yl]-2-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[5-(1,2,4-oxadiazol-3-yl)thiophen-2-yl]-2-pyridinyl]cyclopropanecarboxamide
PubChem CID171921990
Molecular FormulaC15H12N4O2S
Molecular Weight312.35 g/mol
Exact Mass312.07
IUPAC NameN-[4-[5-(1,2,4-oxadiazol-3-yl)thiophen-2-yl]-2-pyridinyl]cyclopropanecarboxamide
SMILESO=C(Nc1cc(-c2ccc(-c3ncon3)s2)ccn1)C1CC1
InChIInChI=1S/C15H12N4O2S/c20-15(9-1-2-9)18-13-7-10(5-6-16-13)11-3-4-12(22-11)14-17-8-21-19-14/h3-9H,1-2H2,(H,16,18,20)
InChIKeyMRPLZYZSVZVELT-UHFFFAOYSA-N
XLogP3.21
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(1,2,4-oxadiazol-3-yl)thiophen-2-yl]-2-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[5-(1,2,4-oxadiazol-3-yl)thiophen-2-yl]-2-pyridinyl]cyclopropanecarboxamide (CID 171921990) is N-[4-[5-(1,2,4-oxadiazol-3-yl)thiophen-2-yl]-2-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[5-(1,2,4-oxadiazol-3-yl)thiophen-2-yl]-2-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[5-(1,2,4-oxadiazol-3-yl)thiophen-2-yl]-2-pyridinyl]cyclopropanecarboxamide is O=C(Nc1cc(-c2ccc(-c3ncon3)s2)ccn1)C1CC1.
What is the InChIKey of N-[4-[5-(1,2,4-oxadiazol-3-yl)thiophen-2-yl]-2-pyridinyl]cyclopropanecarboxamide?
The InChIKey is MRPLZYZSVZVELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O2S/c20-15(9-1-2-9)18-13-7-10(5-6-16-13)11-3-4-12(22-11)14-17-8-21-19-14/h3-9H,1-2H2,(H,16,18,20).
What are the key properties of N-[4-[5-(1,2,4-oxadiazol-3-yl)thiophen-2-yl]-2-pyridinyl]cyclopropanecarboxamide?
N-[4-[5-(1,2,4-oxadiazol-3-yl)thiophen-2-yl]-2-pyridinyl]cyclopropanecarboxamide has a molecular weight of 312.35 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(1,2,4-oxadiazol-3-yl)thiophen-2-yl]-2-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 171921990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).