N-[[6-(furan-2-yl)-3-pyridinyl]methyl]thiophene-2-carboxamide

C15H12N2O2S — CID 91625527

IUPACN-[[6-(furan-2-yl)-3-pyridinyl]methyl]thiophene-2-carboxamide
SMILESO=C(NCc1ccc(-c2ccco2)nc1)c1cccs1
InChIInChI=1S/C15H12N2O2S/c18-15(14-4-2-8-20-14)17-10-11-5-6-12(16-9-11)13-3-1-7-19-13/h1-9H,10H2,(H,17,18)
InChIKeyBDQGNTOAUXXKNU-UHFFFAOYSA-N
MW284.34 g/mol
LogP3.33
Rot. Bonds4

About N-[[6-(furan-2-yl)-3-pyridinyl]methyl]thiophene-2-carboxamide

N-[[6-(furan-2-yl)-3-pyridinyl]methyl]thiophene-2-carboxamide (PubChem CID 91625527) has the molecular formula C15H12N2O2S and a molecular weight of 284.34 g/mol. Its IUPAC name is N-[[6-(furan-2-yl)-3-pyridinyl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[6-(furan-2-yl)-3-pyridinyl]methyl]thiophene-2-carboxamide
PubChem CID91625527
Molecular FormulaC15H12N2O2S
Molecular Weight284.34 g/mol
Exact Mass284.06
IUPAC NameN-[[6-(furan-2-yl)-3-pyridinyl]methyl]thiophene-2-carboxamide
SMILESO=C(NCc1ccc(-c2ccco2)nc1)c1cccs1
InChIInChI=1S/C15H12N2O2S/c18-15(14-4-2-8-20-14)17-10-11-5-6-12(16-9-11)13-3-1-7-19-13/h1-9H,10H2,(H,17,18)
InChIKeyBDQGNTOAUXXKNU-UHFFFAOYSA-N
XLogP3.33
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(furan-2-yl)-3-pyridinyl]methyl]thiophene-2-carboxamide?
The IUPAC name of N-[[6-(furan-2-yl)-3-pyridinyl]methyl]thiophene-2-carboxamide (CID 91625527) is N-[[6-(furan-2-yl)-3-pyridinyl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[[6-(furan-2-yl)-3-pyridinyl]methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[[6-(furan-2-yl)-3-pyridinyl]methyl]thiophene-2-carboxamide is O=C(NCc1ccc(-c2ccco2)nc1)c1cccs1.
What is the InChIKey of N-[[6-(furan-2-yl)-3-pyridinyl]methyl]thiophene-2-carboxamide?
The InChIKey is BDQGNTOAUXXKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2S/c18-15(14-4-2-8-20-14)17-10-11-5-6-12(16-9-11)13-3-1-7-19-13/h1-9H,10H2,(H,17,18).
What are the key properties of N-[[6-(furan-2-yl)-3-pyridinyl]methyl]thiophene-2-carboxamide?
N-[[6-(furan-2-yl)-3-pyridinyl]methyl]thiophene-2-carboxamide has a molecular weight of 284.34 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(furan-2-yl)-3-pyridinyl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 91625527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).