N-[(4-ethylphenyl)methyl]-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide

C21H20N6O2 — CID 53178621

IUPACN-[(4-ethylphenyl)methyl]-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
SMILESCCc1ccc(CNC(=O)c2cn(-c3cc(-c4nc(C)no4)ccn3)cn2)cc1
InChIInChI=1S/C21H20N6O2/c1-3-15-4-6-16(7-5-15)11-23-20(28)18-12-27(13-24-18)19-10-17(8-9-22-19)21-25-14(2)26-29-21/h4-10,12-13H,3,11H2,1-2H3,(H,23,28)
InChIKeyRPLNVHSWYDJCJB-UHFFFAOYSA-N
MW388.43 g/mol
LogP3.12
Rot. Bonds6

About N-[(4-ethylphenyl)methyl]-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide

N-[(4-ethylphenyl)methyl]-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide (PubChem CID 53178621) has the molecular formula C21H20N6O2 and a molecular weight of 388.43 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
PubChem CID53178621
Molecular FormulaC21H20N6O2
Molecular Weight388.43 g/mol
Exact Mass388.16
IUPAC NameN-[(4-ethylphenyl)methyl]-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
SMILESCCc1ccc(CNC(=O)c2cn(-c3cc(-c4nc(C)no4)ccn3)cn2)cc1
InChIInChI=1S/C21H20N6O2/c1-3-15-4-6-16(7-5-15)11-23-20(28)18-12-27(13-24-18)19-10-17(8-9-22-19)21-25-14(2)26-29-21/h4-10,12-13H,3,11H2,1-2H3,(H,23,28)
InChIKeyRPLNVHSWYDJCJB-UHFFFAOYSA-N
XLogP3.12
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(4-ethylphenyl)methyl]-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
CID 53489966
N-[(4-methylphenyl)methyl]-1-[4-(3-propyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
CID 53489920
N-[(3-methoxyphenyl)methyl]-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
CID 53178623
N-[(4-chlorophenyl)methyl]-1-[4-(3-propyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
CID 53489939
1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(3-phenylpropyl)imidazole-4-carboxamide
CID 53489868
1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[[4-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxamide
CID 53490010
1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[[2-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxamide
CID 53489862
1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(4-fluorophenyl)methyl]imidazole-4-carboxamide
CID 53489889
1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(4-propan-2-ylphenyl)methyl]imidazole-4-carboxamide
CID 53489878
N-[2-(4-chlorophenyl)ethyl]-1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
CID 53490015
N-(1,3-benzodioxol-5-ylmethyl)-1-[4-(3-propyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
CID 53489933
1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(2S)-4-phenylbutan-2-yl]imidazole-4-carboxamide
CID 95560087

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methyl]-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide?
The IUPAC name of N-[(4-ethylphenyl)methyl]-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide (CID 53178621) is N-[(4-ethylphenyl)methyl]-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide?
The canonical SMILES for N-[(4-ethylphenyl)methyl]-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide is CCc1ccc(CNC(=O)c2cn(-c3cc(-c4nc(C)no4)ccn3)cn2)cc1.
What is the InChIKey of N-[(4-ethylphenyl)methyl]-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide?
The InChIKey is RPLNVHSWYDJCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O2/c1-3-15-4-6-16(7-5-15)11-23-20(28)18-12-27(13-24-18)19-10-17(8-9-22-19)21-25-14(2)26-29-21/h4-10,12-13H,3,11H2,1-2H3,(H,23,28).
What are the key properties of N-[(4-ethylphenyl)methyl]-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide?
N-[(4-ethylphenyl)methyl]-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide has a molecular weight of 388.43 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methyl]-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide is sourced from PubChem (CID 53178621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).