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

C22H22N6O2 — CID 53178592

IUPACN-(2-ethylphenyl)-1-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
SMILESCCc1ccccc1NC(=O)c1cn(-c2ncccc2-c2nc(C(C)C)no2)cn1
InChIInChI=1S/C22H22N6O2/c1-4-15-8-5-6-10-17(15)25-21(29)18-12-28(13-24-18)20-16(9-7-11-23-20)22-26-19(14(2)3)27-30-22/h5-14H,4H2,1-3H3,(H,25,29)
InChIKeyYZBVUAYJSKPECK-UHFFFAOYSA-N
MW402.46 g/mol
LogP4.26
Rot. Bonds6

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

N-(2-ethylphenyl)-1-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide (PubChem CID 53178592) has the molecular formula C22H22N6O2 and a molecular weight of 402.46 g/mol. Its IUPAC name is N-(2-ethylphenyl)-1-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-1-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
PubChem CID53178592
Molecular FormulaC22H22N6O2
Molecular Weight402.46 g/mol
Exact Mass402.18
IUPAC NameN-(2-ethylphenyl)-1-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
SMILESCCc1ccccc1NC(=O)c1cn(-c2ncccc2-c2nc(C(C)C)no2)cn1
InChIInChI=1S/C22H22N6O2/c1-4-15-8-5-6-10-17(15)25-21(29)18-12-28(13-24-18)20-16(9-7-11-23-20)22-26-19(14(2)3)27-30-22/h5-14H,4H2,1-3H3,(H,25,29)
InChIKeyYZBVUAYJSKPECK-UHFFFAOYSA-N
XLogP4.26
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-1-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide?
The IUPAC name of N-(2-ethylphenyl)-1-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide (CID 53178592) is N-(2-ethylphenyl)-1-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide.
What is the SMILES notation for N-(2-ethylphenyl)-1-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide?
The canonical SMILES for N-(2-ethylphenyl)-1-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide is CCc1ccccc1NC(=O)c1cn(-c2ncccc2-c2nc(C(C)C)no2)cn1.
What is the InChIKey of N-(2-ethylphenyl)-1-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide?
The InChIKey is YZBVUAYJSKPECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O2/c1-4-15-8-5-6-10-17(15)25-21(29)18-12-28(13-24-18)20-16(9-7-11-23-20)22-26-19(14(2)3)27-30-22/h5-14H,4H2,1-3H3,(H,25,29).
What are the key properties of N-(2-ethylphenyl)-1-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide?
N-(2-ethylphenyl)-1-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide has a molecular weight of 402.46 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-1-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide is sourced from PubChem (CID 53178592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).