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

C22H22N6O4 — CID 53490034

IUPACN-[(2,4-dimethoxyphenyl)methyl]-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
SMILESCCc1noc(-c2cccnc2-n2cnc(C(=O)NCc3ccc(OC)cc3OC)c2)n1
InChIInChI=1S/C22H22N6O4/c1-4-19-26-22(32-27-19)16-6-5-9-23-20(16)28-12-17(25-13-28)21(29)24-11-14-7-8-15(30-2)10-18(14)31-3/h5-10,12-13H,4,11H2,1-3H3,(H,24,29)
InChIKeyCWYCYUVOYOFHNN-UHFFFAOYSA-N
MW434.46 g/mol
LogP2.83
Rot. Bonds8

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

N-[(2,4-dimethoxyphenyl)methyl]-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide (PubChem CID 53490034) has the molecular formula C22H22N6O4 and a molecular weight of 434.46 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
PubChem CID53490034
Molecular FormulaC22H22N6O4
Molecular Weight434.46 g/mol
Exact Mass434.17
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
SMILESCCc1noc(-c2cccnc2-n2cnc(C(=O)NCc3ccc(OC)cc3OC)c2)n1
InChIInChI=1S/C22H22N6O4/c1-4-19-26-22(32-27-19)16-6-5-9-23-20(16)28-12-17(25-13-28)21(29)24-11-14-7-8-15(30-2)10-18(14)31-3/h5-10,12-13H,4,11H2,1-3H3,(H,24,29)
InChIKeyCWYCYUVOYOFHNN-UHFFFAOYSA-N
XLogP2.83
TPSA117.19 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.46
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[(2,4-dimethoxyphenyl)methyl]-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide with MolForge

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Related Compounds

N-benzyl-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
CID 53490029
N-[(2,5-dimethoxyphenyl)methyl]-1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
CID 53490001
1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(2,4-dimethoxyphenyl)methyl]imidazole-4-carboxamide
CID 53489769
N-(2,3-dimethylphenyl)-1-[3-(3-propyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
CID 53178511
1-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(1S)-1-(4-methoxyphenyl)ethyl]imidazole-4-carboxamide
CID 95560131
N-[(3-methoxyphenyl)methyl]-1-[4-(3-propyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
CID 53489924
N-[(4-fluorophenyl)methyl]-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
CID 53490058
N-benzyl-1-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
CID 53178816
1-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(3-phenylpropyl)imidazole-4-carboxamide
CID 53490096
N-[(2,4-dimethoxyphenyl)methyl]-6-ethoxyimidazo[1,2-b]pyridazine-2-carboxamide
CID 87051100
N-(3-fluorophenyl)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
CID 53178475
N-[(2,4-dimethoxyphenyl)methyl]-2-ethoxybenzamide
CID 46590246

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide (CID 53490034) is N-[(2,4-dimethoxyphenyl)methyl]-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide is CCc1noc(-c2cccnc2-n2cnc(C(=O)NCc3ccc(OC)cc3OC)c2)n1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide?
The InChIKey is CWYCYUVOYOFHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O4/c1-4-19-26-22(32-27-19)16-6-5-9-23-20(16)28-12-17(25-13-28)21(29)24-11-14-7-8-15(30-2)10-18(14)31-3/h5-10,12-13H,4,11H2,1-3H3,(H,24,29).
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide?
N-[(2,4-dimethoxyphenyl)methyl]-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide has a molecular weight of 434.46 g/mol, XLogP of 2.83, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide is sourced from PubChem (CID 53490034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).