N-(2-cyanoethyl)-3-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-methylpropanamide

C13H19N5O2 — CID 114395632

IUPACN-(2-cyanoethyl)-3-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-methylpropanamide
SMILESCN(CCC#N)C(=O)CCn1ncc(N(C)C)cc1=O
InChIInChI=1S/C13H19N5O2/c1-16(2)11-9-13(20)18(15-10-11)8-5-12(19)17(3)7-4-6-14/h9-10H,4-5,7-8H2,1-3H3
InChIKeyOBOXRAPVWAVKRO-UHFFFAOYSA-N
MW277.33 g/mol
LogP0.07
Rot. Bonds6

About N-(2-cyanoethyl)-3-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-methylpropanamide

N-(2-cyanoethyl)-3-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-methylpropanamide (PubChem CID 114395632) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is N-(2-cyanoethyl)-3-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-methylpropanamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-3-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-methylpropanamide
PubChem CID114395632
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC NameN-(2-cyanoethyl)-3-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-methylpropanamide
SMILESCN(CCC#N)C(=O)CCn1ncc(N(C)C)cc1=O
InChIInChI=1S/C13H19N5O2/c1-16(2)11-9-13(20)18(15-10-11)8-5-12(19)17(3)7-4-6-14/h9-10H,4-5,7-8H2,1-3H3
InChIKeyOBOXRAPVWAVKRO-UHFFFAOYSA-N
XLogP0.07
TPSA82.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 50.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-amino-3-sulfanylidenepropyl)-3-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-methylpropanamide
CID 114395786
N-(2-cyanoethyl)-N-methyl-3-(6-oxopyridazin-1-yl)propanamide
CID 62850678
N-(2-cyanoethyl)-3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-methylpropanamide
CID 63312767
ethyl 6-[4-(dimethylamino)-6-oxopyridazin-1-yl]hexanoate
CID 114393840
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-cyanoethyl)-N-methylpropanamide
CID 55038458
N-(2-cyanoethyl)-N-methyl-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propanamide
CID 61438320
2-(3-aminopropyl)-5-(dimethylamino)pyridazin-3-one
CID 114393687
3-(4-methyl-6-oxopyridazin-1-yl)propanenitrile
CID 106548665
N-(2-cyanoethyl)-3-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-methylpropanamide
CID 61239015
N-(2-cyanoethyl)-N-methyl-3-(5-methylpyrimidin-2-yl)sulfanylpropanamide
CID 61383078
5-(dimethylamino)-2-(3,3,4,4,4-pentafluorobutyl)pyridazin-3-one
CID 28871573
5-(dimethylamino)-2-[(2S)-2-hydroxypropyl]pyridazin-3-one
CID 104920967

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-3-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-methylpropanamide?
The IUPAC name of N-(2-cyanoethyl)-3-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-methylpropanamide (CID 114395632) is N-(2-cyanoethyl)-3-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-methylpropanamide.
What is the SMILES notation for N-(2-cyanoethyl)-3-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-methylpropanamide?
The canonical SMILES for N-(2-cyanoethyl)-3-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-methylpropanamide is CN(CCC#N)C(=O)CCn1ncc(N(C)C)cc1=O.
What is the InChIKey of N-(2-cyanoethyl)-3-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-methylpropanamide?
The InChIKey is OBOXRAPVWAVKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c1-16(2)11-9-13(20)18(15-10-11)8-5-12(19)17(3)7-4-6-14/h9-10H,4-5,7-8H2,1-3H3.
What are the key properties of N-(2-cyanoethyl)-3-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-methylpropanamide?
N-(2-cyanoethyl)-3-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-methylpropanamide has a molecular weight of 277.33 g/mol, XLogP of 0.07, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-3-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-methylpropanamide is sourced from PubChem (CID 114395632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).