N-[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]-6-oxo-1H-pyridine-3-carboxamide

C18H18N4O3 — CID 71883583

IUPACN-[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCC(C)(C)c1nc(-c2ccc(NC(=O)c3ccc(=O)[nH]c3)cc2)no1
InChIInChI=1S/C18H18N4O3/c1-18(2,3)17-21-15(22-25-17)11-4-7-13(8-5-11)20-16(24)12-6-9-14(23)19-10-12/h4-10H,1-3H3,(H,19,23)(H,20,24)
InChIKeyFEOPMEKSUGOFSI-UHFFFAOYSA-N
MW338.37 g/mol
LogP2.97
Rot. Bonds3

About N-[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]-6-oxo-1H-pyridine-3-carboxamide

N-[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 71883583) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is N-[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]-6-oxo-1H-pyridine-3-carboxamide
PubChem CID71883583
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC NameN-[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCC(C)(C)c1nc(-c2ccc(NC(=O)c3ccc(=O)[nH]c3)cc2)no1
InChIInChI=1S/C18H18N4O3/c1-18(2,3)17-21-15(22-25-17)11-4-7-13(8-5-11)20-16(24)12-6-9-14(23)19-10-12/h4-10H,1-3H3,(H,19,23)(H,20,24)
InChIKeyFEOPMEKSUGOFSI-UHFFFAOYSA-N
XLogP2.97
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)benzoic acid
CID 25219299
N-(4-fluorophenyl)-6-oxo-1H-pyridine-3-carboxamide
CID 8745096
N-[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]oxane-4-carboxamide
CID 71936259
(2S)-N-[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]-2-ethoxypropanamide
CID 95154294
N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 19847727
4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenol
CID 135981395
N-(4-cyanophenyl)-6-oxo-1H-pyridine-3-carboxamide
CID 8015151
N-[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]-2-[ethyl(methyl)amino]-2-phenylacetamide
CID 56583040
N-naphthalen-2-yl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 175248067
2-methyl-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]propanamide
CID 134367043
6-oxo-N-(4-pentylphenyl)-1H-pyridine-3-carboxamide
CID 60630583
N-(6-amino-3-pyridinyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 86813751

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]-6-oxo-1H-pyridine-3-carboxamide (CID 71883583) is N-[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]-6-oxo-1H-pyridine-3-carboxamide is CC(C)(C)c1nc(-c2ccc(NC(=O)c3ccc(=O)[nH]c3)cc2)no1.
What is the InChIKey of N-[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is FEOPMEKSUGOFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-18(2,3)17-21-15(22-25-17)11-4-7-13(8-5-11)20-16(24)12-6-9-14(23)19-10-12/h4-10H,1-3H3,(H,19,23)(H,20,24).
What are the key properties of N-[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]-6-oxo-1H-pyridine-3-carboxamide?
N-[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 338.37 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 71883583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).