N-(4-tert-butylphenyl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide

C21H22N2O3 — CID 134024272

IUPACN-(4-tert-butylphenyl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)c2ccc(Cn3ccccc3=O)o2)cc1
InChIInChI=1S/C21H22N2O3/c1-21(2,3)15-7-9-16(10-8-15)22-20(25)18-12-11-17(26-18)14-23-13-5-4-6-19(23)24/h4-13H,14H2,1-3H3,(H,22,25)
InChIKeyUQCPDDVLXYUHBK-UHFFFAOYSA-N
MW350.42 g/mol
LogP4.04
Rot. Bonds4

About N-(4-tert-butylphenyl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide

N-(4-tert-butylphenyl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide (PubChem CID 134024272) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
PubChem CID134024272
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC NameN-(4-tert-butylphenyl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)c2ccc(Cn3ccccc3=O)o2)cc1
InChIInChI=1S/C21H22N2O3/c1-21(2,3)15-7-9-16(10-8-15)22-20(25)18-12-11-17(26-18)14-23-13-5-4-6-19(23)24/h4-13H,14H2,1-3H3,(H,22,25)
InChIKeyUQCPDDVLXYUHBK-UHFFFAOYSA-N
XLogP4.04
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 134024755
N-(4-ethylsulfonylphenyl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 39863132
N-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 75446828
N-[4-(difluoromethoxy)phenyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 31328902
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 134024336
N-(6-methoxy-3-pyridinyl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 33281766
N-[4-(2-oxoimidazolidin-1-yl)phenyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 134024878
N-(3-chloro-4-fluorophenyl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 31328053
N-[(2R)-3-methylbutan-2-yl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 30597946
N-[(2S)-3-methylbutan-2-yl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 30597949
N'-(4-ethylbenzoyl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide
CID 134024433
5-[(2-oxo-1-pyridinyl)methyl]-N-prop-2-enylfuran-2-carboxamide
CID 47141528

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide?
The IUPAC name of N-(4-tert-butylphenyl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide (CID 134024272) is N-(4-tert-butylphenyl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide?
The canonical SMILES for N-(4-tert-butylphenyl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide is CC(C)(C)c1ccc(NC(=O)c2ccc(Cn3ccccc3=O)o2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide?
The InChIKey is UQCPDDVLXYUHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-21(2,3)15-7-9-16(10-8-15)22-20(25)18-12-11-17(26-18)14-23-13-5-4-6-19(23)24/h4-13H,14H2,1-3H3,(H,22,25).
What are the key properties of N-(4-tert-butylphenyl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide?
N-(4-tert-butylphenyl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 134024272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).