N-(1-cyanobutyl)-3,6-dimethylpyridazine-4-carboxamide

C12H16N4O — CID 113344554

IUPACN-(1-cyanobutyl)-3,6-dimethylpyridazine-4-carboxamide
SMILESCCCC(C#N)NC(=O)c1cc(C)nnc1C
InChIInChI=1S/C12H16N4O/c1-4-5-10(7-13)14-12(17)11-6-8(2)15-16-9(11)3/h6,10H,4-5H2,1-3H3,(H,14,17)
InChIKeyISESKDKTSUVRJZ-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.52
Rot. Bonds4

About N-(1-cyanobutyl)-3,6-dimethylpyridazine-4-carboxamide

N-(1-cyanobutyl)-3,6-dimethylpyridazine-4-carboxamide (PubChem CID 113344554) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is N-(1-cyanobutyl)-3,6-dimethylpyridazine-4-carboxamide.

Molecular Properties

Compound NameN-(1-cyanobutyl)-3,6-dimethylpyridazine-4-carboxamide
PubChem CID113344554
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC NameN-(1-cyanobutyl)-3,6-dimethylpyridazine-4-carboxamide
SMILESCCCC(C#N)NC(=O)c1cc(C)nnc1C
InChIInChI=1S/C12H16N4O/c1-4-5-10(7-13)14-12(17)11-6-8(2)15-16-9(11)3/h6,10H,4-5H2,1-3H3,(H,14,17)
InChIKeyISESKDKTSUVRJZ-UHFFFAOYSA-N
XLogP1.52
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-cyanobutyl)-2-methylquinoline-4-carboxamide
CID 60549944
N-(1-hydroxybutan-2-yl)-3,6-dimethylpyridazine-4-carboxamide
CID 115875451
N-(1-cyanobutyl)-2,4-difluoro-5-methylbenzamide
CID 113249764
N-(1-cyanobutyl)-3-hydroxy-2-methylbenzamide
CID 82829779
N-(1-aminobutan-2-yl)-3,6-dimethylpyridazine-4-carboxamide
CID 104671527
N-(1-cyanobutyl)-4-hydroxy-2-methylbenzamide
CID 103865389
N-(4-aminobutan-2-yl)-3,6-dimethylpyridazine-4-carboxamide
CID 104668957
2-chloro-N-(1-cyanobutyl)-6-methylpyridine-4-carboxamide
CID 104952754
N-[(2R)-1-hydroxypropan-2-yl]-3,6-dimethylpyridazine-4-carboxamide
CID 104671187
N-(5-hydroxypentan-2-yl)-3,6-dimethylpyridazine-4-carboxamide
CID 112548731
N-(1-bromo-4-methylpentan-3-yl)-3,6-dimethylpyridazine-4-carboxamide
CID 106355201
N-[2-(2-chloroethyl)pentyl]-3,6-dimethylpyridazine-4-carboxamide
CID 114145698

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanobutyl)-3,6-dimethylpyridazine-4-carboxamide?
The IUPAC name of N-(1-cyanobutyl)-3,6-dimethylpyridazine-4-carboxamide (CID 113344554) is N-(1-cyanobutyl)-3,6-dimethylpyridazine-4-carboxamide.
What is the SMILES notation for N-(1-cyanobutyl)-3,6-dimethylpyridazine-4-carboxamide?
The canonical SMILES for N-(1-cyanobutyl)-3,6-dimethylpyridazine-4-carboxamide is CCCC(C#N)NC(=O)c1cc(C)nnc1C.
What is the InChIKey of N-(1-cyanobutyl)-3,6-dimethylpyridazine-4-carboxamide?
The InChIKey is ISESKDKTSUVRJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-4-5-10(7-13)14-12(17)11-6-8(2)15-16-9(11)3/h6,10H,4-5H2,1-3H3,(H,14,17).
What are the key properties of N-(1-cyanobutyl)-3,6-dimethylpyridazine-4-carboxamide?
N-(1-cyanobutyl)-3,6-dimethylpyridazine-4-carboxamide has a molecular weight of 232.29 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanobutyl)-3,6-dimethylpyridazine-4-carboxamide is sourced from PubChem (CID 113344554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).