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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Related Compounds

(R)-N-(4-(tert-Butyl)phenyl)-N-(2-(tert-butylamino)-2-oxo-1-(pyridin-3-yl)ethyl)furan-2-carboxamide
CID 46897844
N-[2-(tert-butylamino)-2-oxo-1-(3-pyridyl)ethyl]-N-(4-tert-butylphenyl)furan-2-carboxamide
CID 44634772
N-([1,1'-biphenyl]-4-yl)-N-[(1R)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]furan-2-carboxamide
CID 155289416
N-{6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl}-2-furamide
CID 2814197
4-tert-butyl-N-(6-pyridin-3-yloxypyridin-3-yl)benzamide
CID 2800172
2-(2-Furoyl)-1-phenyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
CID 4917368
N-(4-butan-2-ylphenyl)-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide
CID 3196508
MAT-POS-f2460aef-1
CID 154878526
ALP-POS-02c6a514-44
CID 156906921
ALP-POS-b0bc6a46-5
CID 156906936
LON-WEI-2e27a2e5-1
CID 156907122
N-[2-(tert-butylamino)-2-oxo-1-pyrazin-2-ylethyl]-N-(4-tert-butylphenyl)furan-2-carboxamide
CID 51003636

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).