N-methyl-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(2-pyridin-2-ylethyl)benzamide

C24H22N4O2 — CID 134008705

IUPACN-methyl-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(2-pyridin-2-ylethyl)benzamide
SMILESCc1ccc(-c2nnc(-c3ccc(C(=O)N(C)CCc4ccccn4)cc3)o2)cc1
InChIInChI=1S/C24H22N4O2/c1-17-6-8-18(9-7-17)22-26-27-23(30-22)19-10-12-20(13-11-19)24(29)28(2)16-14-21-5-3-4-15-25-21/h3-13,15H,14,16H2,1-2H3
InChIKeyJCMCHOQOQQNBAT-UHFFFAOYSA-N
MW398.47 g/mol
LogP4.42
Rot. Bonds6

About N-methyl-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(2-pyridin-2-ylethyl)benzamide

N-methyl-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(2-pyridin-2-ylethyl)benzamide (PubChem CID 134008705) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is N-methyl-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(2-pyridin-2-ylethyl)benzamide.

Molecular Properties

Compound NameN-methyl-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(2-pyridin-2-ylethyl)benzamide
PubChem CID134008705
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC NameN-methyl-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(2-pyridin-2-ylethyl)benzamide
SMILESCc1ccc(-c2nnc(-c3ccc(C(=O)N(C)CCc4ccccn4)cc3)o2)cc1
InChIInChI=1S/C24H22N4O2/c1-17-6-8-18(9-7-17)22-26-27-23(30-22)19-10-12-20(13-11-19)24(29)28(2)16-14-21-5-3-4-15-25-21/h3-13,15H,14,16H2,1-2H3
InChIKeyJCMCHOQOQQNBAT-UHFFFAOYSA-N
XLogP4.42
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-5-(4-methylphenyl)-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 122137867
4-ethoxy-N-methyl-N-(2-pyridin-2-ylethyl)benzamide
CID 56809954
N-methyl-4-phenoxy-N-(2-pyridin-2-ylethyl)benzamide
CID 78796251
4-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)benzamide;oxalic acid
CID 90483378
6-bromo-N-methyl-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 66463680
N-[2-(4-fluorophenoxy)ethyl]-N-methyl-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 134031095
ethane;N-methyl-N-(2-pyridin-2-ylethyl)acetamide
CID 143678158
4-chloro-N-methyl-3-(4-phenylphenyl)-N-(2-pyridin-2-ylethyl)benzamide
CID 58791114
N-methyl-5-(4-methylphenyl)-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391082
N-methyl-N-(2-pyridin-2-ylethyl)-3-sulfanylbenzamide
CID 107021824
3-iodo-N-methyl-N-(2-pyridin-2-ylethyl)benzamide
CID 60653685
N-ethyl-N-methyl-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 134063386

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(2-pyridin-2-ylethyl)benzamide?
The IUPAC name of N-methyl-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(2-pyridin-2-ylethyl)benzamide (CID 134008705) is N-methyl-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(2-pyridin-2-ylethyl)benzamide.
What is the SMILES notation for N-methyl-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(2-pyridin-2-ylethyl)benzamide?
The canonical SMILES for N-methyl-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(2-pyridin-2-ylethyl)benzamide is Cc1ccc(-c2nnc(-c3ccc(C(=O)N(C)CCc4ccccn4)cc3)o2)cc1.
What is the InChIKey of N-methyl-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(2-pyridin-2-ylethyl)benzamide?
The InChIKey is JCMCHOQOQQNBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2/c1-17-6-8-18(9-7-17)22-26-27-23(30-22)19-10-12-20(13-11-19)24(29)28(2)16-14-21-5-3-4-15-25-21/h3-13,15H,14,16H2,1-2H3.
What are the key properties of N-methyl-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(2-pyridin-2-ylethyl)benzamide?
N-methyl-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(2-pyridin-2-ylethyl)benzamide has a molecular weight of 398.47 g/mol, XLogP of 4.42, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(2-pyridin-2-ylethyl)benzamide is sourced from PubChem (CID 134008705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).