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

C23H24N6O4 — CID 53490013

IUPACN-[1-(3,4-dimethoxyphenyl)ethyl]-1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
SMILESCCc1noc(-c2ccnc(-n3cnc(C(=O)NC(C)c4ccc(OC)c(OC)c4)c3)c2)n1
InChIInChI=1S/C23H24N6O4/c1-5-20-27-23(33-28-20)16-8-9-24-21(11-16)29-12-17(25-13-29)22(30)26-14(2)15-6-7-18(31-3)19(10-15)32-4/h6-14H,5H2,1-4H3,(H,26,30)
InChIKeyXPJPQICDBLTMAW-UHFFFAOYSA-N
MW448.48 g/mol
LogP3.39
Rot. Bonds8

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

N-[1-(3,4-dimethoxyphenyl)ethyl]-1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide (PubChem CID 53490013) has the molecular formula C23H24N6O4 and a molecular weight of 448.48 g/mol. Its IUPAC name is N-[1-(3,4-dimethoxyphenyl)ethyl]-1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethoxyphenyl)ethyl]-1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
PubChem CID53490013
Molecular FormulaC23H24N6O4
Molecular Weight448.48 g/mol
Exact Mass448.19
IUPAC NameN-[1-(3,4-dimethoxyphenyl)ethyl]-1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
SMILESCCc1noc(-c2ccnc(-n3cnc(C(=O)NC(C)c4ccc(OC)c(OC)c4)c3)c2)n1
InChIInChI=1S/C23H24N6O4/c1-5-20-27-23(33-28-20)16-8-9-24-21(11-16)29-12-17(25-13-29)22(30)26-14(2)15-6-7-18(31-3)19(10-15)32-4/h6-14H,5H2,1-4H3,(H,26,30)
InChIKeyXPJPQICDBLTMAW-UHFFFAOYSA-N
XLogP3.39
TPSA117.19 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.48
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-[1-(3,4-dimethoxyphenyl)ethyl]-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
CID 53489865
1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-propan-2-ylimidazole-4-carboxamide
CID 53178659
N-[(2,5-dimethoxyphenyl)methyl]-1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
CID 53490001
N-[(2R)-butan-2-yl]-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
CID 95104418
1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(pyridin-2-ylmethyl)imidazole-4-carboxamide
CID 53490021
1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]imidazole-4-carboxamide
CID 95104412
1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(1R)-1-phenylethyl]imidazole-4-carboxamide
CID 95104411
N-[2-(4-chlorophenyl)ethyl]-1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
CID 53490015
1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[[4-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxamide
CID 53490010
N-[(3-methoxyphenyl)methyl]-1-[4-(3-propyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
CID 53489924
N-[(4-methylphenyl)methyl]-1-[4-(3-propyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
CID 53489920
N-[(4-ethylphenyl)methyl]-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
CID 53489966

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethoxyphenyl)ethyl]-1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide?
The IUPAC name of N-[1-(3,4-dimethoxyphenyl)ethyl]-1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide (CID 53490013) is N-[1-(3,4-dimethoxyphenyl)ethyl]-1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide.
What is the SMILES notation for N-[1-(3,4-dimethoxyphenyl)ethyl]-1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide?
The canonical SMILES for N-[1-(3,4-dimethoxyphenyl)ethyl]-1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide is CCc1noc(-c2ccnc(-n3cnc(C(=O)NC(C)c4ccc(OC)c(OC)c4)c3)c2)n1.
What is the InChIKey of N-[1-(3,4-dimethoxyphenyl)ethyl]-1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide?
The InChIKey is XPJPQICDBLTMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O4/c1-5-20-27-23(33-28-20)16-8-9-24-21(11-16)29-12-17(25-13-29)22(30)26-14(2)15-6-7-18(31-3)19(10-15)32-4/h6-14H,5H2,1-4H3,(H,26,30).
What are the key properties of N-[1-(3,4-dimethoxyphenyl)ethyl]-1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide?
N-[1-(3,4-dimethoxyphenyl)ethyl]-1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide has a molecular weight of 448.48 g/mol, XLogP of 3.39, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethoxyphenyl)ethyl]-1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide is sourced from PubChem (CID 53490013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).