3-(4,5-dimethylpyridazin-3-yl)-N,N-diethylbenzamide

C17H21N3O — CID 157018493

IUPAC3-(4,5-dimethylpyridazin-3-yl)-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1cccc(-c2nncc(C)c2C)c1
InChIInChI=1S/C17H21N3O/c1-5-20(6-2)17(21)15-9-7-8-14(10-15)16-13(4)12(3)11-18-19-16/h7-11H,5-6H2,1-4H3
InChIKeyIBZCDVFLQLVMMZ-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.24
Rot. Bonds4

About 3-(4,5-dimethylpyridazin-3-yl)-N,N-diethylbenzamide

3-(4,5-dimethylpyridazin-3-yl)-N,N-diethylbenzamide (PubChem CID 157018493) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 3-(4,5-dimethylpyridazin-3-yl)-N,N-diethylbenzamide.

Molecular Properties

Compound Name3-(4,5-dimethylpyridazin-3-yl)-N,N-diethylbenzamide
PubChem CID157018493
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name3-(4,5-dimethylpyridazin-3-yl)-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1cccc(-c2nncc(C)c2C)c1
InChIInChI=1S/C17H21N3O/c1-5-20(6-2)17(21)15-9-7-8-14(10-15)16-13(4)12(3)11-18-19-16/h7-11H,5-6H2,1-4H3
InChIKeyIBZCDVFLQLVMMZ-UHFFFAOYSA-N
XLogP3.24
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-3-(2-methylthieno[3,2-d]pyrimidin-4-yl)benzamide
CID 157018895
2-[ethyl-[3-(2H-tetrazol-5-yl)benzoyl]amino]acetic acid
CID 61021113
3-(3,8-dimethyl-9H-pyrido[2,3-b]indol-5-yl)-N,N-diethylbenzamide
CID 143880553
N,N-diethyl-3-(1,3-thiazol-2-yl)benzamide
CID 110372127
5-[3-(diethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 72914641
CID 174412487
CID 174412487
5-(3-aminophenyl)-N,N-diethylpyridine-3-carboxamide
CID 10355739
3-(5-ethyl-3-methyl-2-pyridinyl)benzamide
CID 143772061
tripotassium;N,N-diethylbenzamide;tritetrafluoroborate
CID 121234148
3-(3-amino-4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-N,N-diethylbenzamide
CID 72935280
3-[1-(difluoromethyl)-5-methylpyrazol-4-yl]-N-ethyl-N-(2-hydroxyethyl)benzamide
CID 122570706
N,N-diethyl-3-[5-(methoxymethyl)-1-methyl-1,2,4-triazol-3-yl]benzamide
CID 163308243

Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dimethylpyridazin-3-yl)-N,N-diethylbenzamide?
The IUPAC name of 3-(4,5-dimethylpyridazin-3-yl)-N,N-diethylbenzamide (CID 157018493) is 3-(4,5-dimethylpyridazin-3-yl)-N,N-diethylbenzamide.
What is the SMILES notation for 3-(4,5-dimethylpyridazin-3-yl)-N,N-diethylbenzamide?
The canonical SMILES for 3-(4,5-dimethylpyridazin-3-yl)-N,N-diethylbenzamide is CCN(CC)C(=O)c1cccc(-c2nncc(C)c2C)c1.
What is the InChIKey of 3-(4,5-dimethylpyridazin-3-yl)-N,N-diethylbenzamide?
The InChIKey is IBZCDVFLQLVMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-5-20(6-2)17(21)15-9-7-8-14(10-15)16-13(4)12(3)11-18-19-16/h7-11H,5-6H2,1-4H3.
What are the key properties of 3-(4,5-dimethylpyridazin-3-yl)-N,N-diethylbenzamide?
3-(4,5-dimethylpyridazin-3-yl)-N,N-diethylbenzamide has a molecular weight of 283.38 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dimethylpyridazin-3-yl)-N,N-diethylbenzamide is sourced from PubChem (CID 157018493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).