N-(2-cyanoethyl)-3-(3-methoxy-6-oxopyridazin-1-yl)-N-methylpropanamide

C12H16N4O3 — CID 105061768

IUPACN-(2-cyanoethyl)-3-(3-methoxy-6-oxopyridazin-1-yl)-N-methylpropanamide
SMILESCOc1ccc(=O)n(CCC(=O)N(C)CCC#N)n1
InChIInChI=1S/C12H16N4O3/c1-15(8-3-7-13)11(17)6-9-16-12(18)5-4-10(14-16)19-2/h4-5H,3,6,8-9H2,1-2H3
InChIKeySPKNAVGIECLCIX-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.01
Rot. Bonds6

About N-(2-cyanoethyl)-3-(3-methoxy-6-oxopyridazin-1-yl)-N-methylpropanamide

N-(2-cyanoethyl)-3-(3-methoxy-6-oxopyridazin-1-yl)-N-methylpropanamide (PubChem CID 105061768) has the molecular formula C12H16N4O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is N-(2-cyanoethyl)-3-(3-methoxy-6-oxopyridazin-1-yl)-N-methylpropanamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-3-(3-methoxy-6-oxopyridazin-1-yl)-N-methylpropanamide
PubChem CID105061768
Molecular FormulaC12H16N4O3
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC NameN-(2-cyanoethyl)-3-(3-methoxy-6-oxopyridazin-1-yl)-N-methylpropanamide
SMILESCOc1ccc(=O)n(CCC(=O)N(C)CCC#N)n1
InChIInChI=1S/C12H16N4O3/c1-15(8-3-7-13)11(17)6-9-16-12(18)5-4-10(14-16)19-2/h4-5H,3,6,8-9H2,1-2H3
InChIKeySPKNAVGIECLCIX-UHFFFAOYSA-N
XLogP0.01
TPSA88.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-3-(3-methoxy-6-oxopyridazin-1-yl)-N-methylpropanamide?
The IUPAC name of N-(2-cyanoethyl)-3-(3-methoxy-6-oxopyridazin-1-yl)-N-methylpropanamide (CID 105061768) is N-(2-cyanoethyl)-3-(3-methoxy-6-oxopyridazin-1-yl)-N-methylpropanamide.
What is the SMILES notation for N-(2-cyanoethyl)-3-(3-methoxy-6-oxopyridazin-1-yl)-N-methylpropanamide?
The canonical SMILES for N-(2-cyanoethyl)-3-(3-methoxy-6-oxopyridazin-1-yl)-N-methylpropanamide is COc1ccc(=O)n(CCC(=O)N(C)CCC#N)n1.
What is the InChIKey of N-(2-cyanoethyl)-3-(3-methoxy-6-oxopyridazin-1-yl)-N-methylpropanamide?
The InChIKey is SPKNAVGIECLCIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c1-15(8-3-7-13)11(17)6-9-16-12(18)5-4-10(14-16)19-2/h4-5H,3,6,8-9H2,1-2H3.
What are the key properties of N-(2-cyanoethyl)-3-(3-methoxy-6-oxopyridazin-1-yl)-N-methylpropanamide?
N-(2-cyanoethyl)-3-(3-methoxy-6-oxopyridazin-1-yl)-N-methylpropanamide has a molecular weight of 264.28 g/mol, XLogP of 0.01, 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-(3-methoxy-6-oxopyridazin-1-yl)-N-methylpropanamide is sourced from PubChem (CID 105061768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).