3-chloro-N-[4,6-dimethyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]benzamide

C17H15ClN4O2 — CID 71840586

IUPAC3-chloro-N-[4,6-dimethyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]benzamide
SMILESCc1cc(C)c(-c2noc(C)n2)c(NC(=O)c2cccc(Cl)c2)n1
InChIInChI=1S/C17H15ClN4O2/c1-9-7-10(2)19-15(14(9)16-20-11(3)24-22-16)21-17(23)12-5-4-6-13(18)8-12/h4-8H,1-3H3,(H,19,21,23)
InChIKeyTZHVFRHRRIQCEQ-UHFFFAOYSA-N
MW342.79 g/mol
LogP3.96
Rot. Bonds3

About 3-chloro-N-[4,6-dimethyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]benzamide

3-chloro-N-[4,6-dimethyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]benzamide (PubChem CID 71840586) has the molecular formula C17H15ClN4O2 and a molecular weight of 342.79 g/mol. Its IUPAC name is 3-chloro-N-[4,6-dimethyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[4,6-dimethyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]benzamide
PubChem CID71840586
Molecular FormulaC17H15ClN4O2
Molecular Weight342.79 g/mol
Exact Mass342.09
IUPAC Name3-chloro-N-[4,6-dimethyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]benzamide
SMILESCc1cc(C)c(-c2noc(C)n2)c(NC(=O)c2cccc(Cl)c2)n1
InChIInChI=1S/C17H15ClN4O2/c1-9-7-10(2)19-15(14(9)16-20-11(3)24-22-16)21-17(23)12-5-4-6-13(18)8-12/h4-8H,1-3H3,(H,19,21,23)
InChIKeyTZHVFRHRRIQCEQ-UHFFFAOYSA-N
XLogP3.96
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.79
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chlorophenyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide
CID 46321558
3-chloro-N-(3-methyl-1,2-oxazol-5-yl)benzamide
CID 45284583
N-(5-chloro-2-pyridinyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide
CID 46321553
N-(4,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-3-yl)-3-methylbenzamide
CID 42110373
N-(3-chloro-2-methylphenyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide
CID 50779128
3-chloro-N-(2-methylquinolin-4-yl)benzamide
CID 4298030
3-chloro-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]benzamide
CID 84558608
3-chloro-N-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]benzamide
CID 7693026
3-chloro-N-(4-methylphenyl)benzamide
CID 722375
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide
CID 46321552
3-chloro-N-(3-methylphenyl)benzamide
CID 722373
3-chloro-N-(4-chloro-2-pyridinyl)benzamide
CID 3011465

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4,6-dimethyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]benzamide?
The IUPAC name of 3-chloro-N-[4,6-dimethyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]benzamide (CID 71840586) is 3-chloro-N-[4,6-dimethyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]benzamide.
What is the SMILES notation for 3-chloro-N-[4,6-dimethyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]benzamide?
The canonical SMILES for 3-chloro-N-[4,6-dimethyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]benzamide is Cc1cc(C)c(-c2noc(C)n2)c(NC(=O)c2cccc(Cl)c2)n1.
What is the InChIKey of 3-chloro-N-[4,6-dimethyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]benzamide?
The InChIKey is TZHVFRHRRIQCEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O2/c1-9-7-10(2)19-15(14(9)16-20-11(3)24-22-16)21-17(23)12-5-4-6-13(18)8-12/h4-8H,1-3H3,(H,19,21,23).
What are the key properties of 3-chloro-N-[4,6-dimethyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]benzamide?
3-chloro-N-[4,6-dimethyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]benzamide has a molecular weight of 342.79 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4,6-dimethyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]benzamide is sourced from PubChem (CID 71840586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).