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

C20H18N6O2 — CID 53490029

IUPACN-benzyl-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
SMILESCCc1noc(-c2cccnc2-n2cnc(C(=O)NCc3ccccc3)c2)n1
InChIInChI=1S/C20H18N6O2/c1-2-17-24-20(28-25-17)15-9-6-10-21-18(15)26-12-16(23-13-26)19(27)22-11-14-7-4-3-5-8-14/h3-10,12-13H,2,11H2,1H3,(H,22,27)
InChIKeyIKNNMVSJGQSEDT-UHFFFAOYSA-N
MW374.40 g/mol
LogP2.81
Rot. Bonds6

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

N-benzyl-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide (PubChem CID 53490029) has the molecular formula C20H18N6O2 and a molecular weight of 374.40 g/mol. Its IUPAC name is N-benzyl-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
PubChem CID53490029
Molecular FormulaC20H18N6O2
Molecular Weight374.40 g/mol
Exact Mass374.15
IUPAC NameN-benzyl-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
SMILESCCc1noc(-c2cccnc2-n2cnc(C(=O)NCc3ccccc3)c2)n1
InChIInChI=1S/C20H18N6O2/c1-2-17-24-20(28-25-17)15-9-6-10-21-18(15)26-12-16(23-13-26)19(27)22-11-14-7-4-3-5-8-14/h3-10,12-13H,2,11H2,1H3,(H,22,27)
InChIKeyIKNNMVSJGQSEDT-UHFFFAOYSA-N
XLogP2.81
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
CID 53490034
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
N-[(2-methylphenyl)methyl]-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
CID 53178562
1-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(3-phenylpropyl)imidazole-4-carboxamide
CID 53490096
N-(2,3-dimethylphenyl)-1-[3-(3-propyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
CID 53178511
1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(pyridin-2-ylmethyl)imidazole-4-carboxamide
CID 53490021
1-[4-[4-[1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carbonyl]piperazin-1-yl]phenyl]ethanone
CID 53489749
1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxylic acid
CID 53353072
1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[[4-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxamide
CID 53490010
N-[(4-methylphenyl)methyl]-1-[4-(3-propyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
CID 53489920
N-[(4-chlorophenyl)methyl]-1-[4-(3-propyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
CID 53489939

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide?
The IUPAC name of N-benzyl-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide (CID 53490029) is N-benzyl-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide.
What is the SMILES notation for N-benzyl-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide?
The canonical SMILES for N-benzyl-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide is CCc1noc(-c2cccnc2-n2cnc(C(=O)NCc3ccccc3)c2)n1.
What is the InChIKey of N-benzyl-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide?
The InChIKey is IKNNMVSJGQSEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O2/c1-2-17-24-20(28-25-17)15-9-6-10-21-18(15)26-12-16(23-13-26)19(27)22-11-14-7-4-3-5-8-14/h3-10,12-13H,2,11H2,1H3,(H,22,27).
What are the key properties of N-benzyl-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide?
N-benzyl-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide has a molecular weight of 374.40 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide is sourced from PubChem (CID 53490029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).