N-[6-(4-tert-butylphenoxy)-3-pyridinyl]furan-2-carboxamide

C20H20N2O3 — CID 2814271

IUPACN-[6-(4-tert-butylphenoxy)-3-pyridinyl]furan-2-carboxamide
SMILESCC(C)(C)c1ccc(Oc2ccc(NC(=O)c3ccco3)cn2)cc1
InChIInChI=1S/C20H20N2O3/c1-20(2,3)14-6-9-16(10-7-14)25-18-11-8-15(13-21-18)22-19(23)17-5-4-12-24-17/h4-13H,1-3H3,(H,22,23)
InChIKeyKFHUMWSFEAZNRI-UHFFFAOYSA-N
MW336.39 g/mol
LogP5.02
Rot. Bonds4

About N-[6-(4-tert-butylphenoxy)-3-pyridinyl]furan-2-carboxamide

N-[6-(4-tert-butylphenoxy)-3-pyridinyl]furan-2-carboxamide (PubChem CID 2814271) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is N-[6-(4-tert-butylphenoxy)-3-pyridinyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[6-(4-tert-butylphenoxy)-3-pyridinyl]furan-2-carboxamide
PubChem CID2814271
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC NameN-[6-(4-tert-butylphenoxy)-3-pyridinyl]furan-2-carboxamide
SMILESCC(C)(C)c1ccc(Oc2ccc(NC(=O)c3ccco3)cn2)cc1
InChIInChI=1S/C20H20N2O3/c1-20(2,3)14-6-9-16(10-7-14)25-18-11-8-15(13-21-18)22-19(23)17-5-4-12-24-17/h4-13H,1-3H3,(H,22,23)
InChIKeyKFHUMWSFEAZNRI-UHFFFAOYSA-N
XLogP5.02
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.39
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-(4-tert-butylphenoxy)-3-pyridinyl]furan-2-carboxamide?
The IUPAC name of N-[6-(4-tert-butylphenoxy)-3-pyridinyl]furan-2-carboxamide (CID 2814271) is N-[6-(4-tert-butylphenoxy)-3-pyridinyl]furan-2-carboxamide.
What is the SMILES notation for N-[6-(4-tert-butylphenoxy)-3-pyridinyl]furan-2-carboxamide?
The canonical SMILES for N-[6-(4-tert-butylphenoxy)-3-pyridinyl]furan-2-carboxamide is CC(C)(C)c1ccc(Oc2ccc(NC(=O)c3ccco3)cn2)cc1.
What is the InChIKey of N-[6-(4-tert-butylphenoxy)-3-pyridinyl]furan-2-carboxamide?
The InChIKey is KFHUMWSFEAZNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-20(2,3)14-6-9-16(10-7-14)25-18-11-8-15(13-21-18)22-19(23)17-5-4-12-24-17/h4-13H,1-3H3,(H,22,23).
What are the key properties of N-[6-(4-tert-butylphenoxy)-3-pyridinyl]furan-2-carboxamide?
N-[6-(4-tert-butylphenoxy)-3-pyridinyl]furan-2-carboxamide has a molecular weight of 336.39 g/mol, XLogP of 5.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-tert-butylphenoxy)-3-pyridinyl]furan-2-carboxamide is sourced from PubChem (CID 2814271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).