N-ethyl-2-[4-[methyl(2-phenylethyl)amino]-6-oxopyridazin-1-yl]acetamide

C17H22N4O2 — CID 56887820

IUPACN-ethyl-2-[4-[methyl(2-phenylethyl)amino]-6-oxopyridazin-1-yl]acetamide
SMILESCCNC(=O)Cn1ncc(N(C)CCc2ccccc2)cc1=O
InChIInChI=1S/C17H22N4O2/c1-3-18-16(22)13-21-17(23)11-15(12-19-21)20(2)10-9-14-7-5-4-6-8-14/h4-8,11-12H,3,9-10,13H2,1-2H3,(H,18,22)
InChIKeyOHHUYBNNPBAWIK-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.06
Rot. Bonds7

About N-ethyl-2-[4-[methyl(2-phenylethyl)amino]-6-oxopyridazin-1-yl]acetamide

N-ethyl-2-[4-[methyl(2-phenylethyl)amino]-6-oxopyridazin-1-yl]acetamide (PubChem CID 56887820) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-ethyl-2-[4-[methyl(2-phenylethyl)amino]-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[4-[methyl(2-phenylethyl)amino]-6-oxopyridazin-1-yl]acetamide
PubChem CID56887820
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC NameN-ethyl-2-[4-[methyl(2-phenylethyl)amino]-6-oxopyridazin-1-yl]acetamide
SMILESCCNC(=O)Cn1ncc(N(C)CCc2ccccc2)cc1=O
InChIInChI=1S/C17H22N4O2/c1-3-18-16(22)13-21-17(23)11-15(12-19-21)20(2)10-9-14-7-5-4-6-8-14/h4-8,11-12H,3,9-10,13H2,1-2H3,(H,18,22)
InChIKeyOHHUYBNNPBAWIK-UHFFFAOYSA-N
XLogP1.06
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[methyl(2-phenylethyl)amino]-6-oxopyridazin-1-yl]-N-piperidin-3-ylacetamide
CID 45173924
5-[methyl(2-phenylethyl)amino]-2-(2-phenylsulfanylethyl)pyridazin-3-one
CID 56909974
2-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]-N-prop-2-ynylacetamide
CID 114396759
5-[methyl(2-phenylethyl)amino]-2-[[(2R)-oxan-2-yl]methyl]pyridazin-3-one
CID 28956134
5-[methyl(2-phenylethyl)amino]-2-[(1-methylpiperidin-2-yl)methyl]pyridazin-3-one
CID 72879270
5-[methyl(2-phenylethyl)amino]-2-[2-(oxolan-3-yl)ethyl]pyridazin-3-one
CID 56885157
5-[methyl(2-phenylethyl)amino]-2-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]methyl]pyridazin-3-one
CID 97284120
2-[4-[2-aminoethyl(methyl)amino]-6-oxopyridazin-1-yl]acetamide
CID 103223387
2-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]acetamide
CID 114397031
2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]acetamide
CID 29000911
N-ethyl-2-[4-[2-(methylamino)ethylamino]-6-oxopyridazin-1-yl]acetamide
CID 103223616
2-[4-(2-aminoethylamino)-6-oxopyridazin-1-yl]-N-ethylacetamide
CID 103221101

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[4-[methyl(2-phenylethyl)amino]-6-oxopyridazin-1-yl]acetamide?
The IUPAC name of N-ethyl-2-[4-[methyl(2-phenylethyl)amino]-6-oxopyridazin-1-yl]acetamide (CID 56887820) is N-ethyl-2-[4-[methyl(2-phenylethyl)amino]-6-oxopyridazin-1-yl]acetamide.
What is the SMILES notation for N-ethyl-2-[4-[methyl(2-phenylethyl)amino]-6-oxopyridazin-1-yl]acetamide?
The canonical SMILES for N-ethyl-2-[4-[methyl(2-phenylethyl)amino]-6-oxopyridazin-1-yl]acetamide is CCNC(=O)Cn1ncc(N(C)CCc2ccccc2)cc1=O.
What is the InChIKey of N-ethyl-2-[4-[methyl(2-phenylethyl)amino]-6-oxopyridazin-1-yl]acetamide?
The InChIKey is OHHUYBNNPBAWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-3-18-16(22)13-21-17(23)11-15(12-19-21)20(2)10-9-14-7-5-4-6-8-14/h4-8,11-12H,3,9-10,13H2,1-2H3,(H,18,22).
What are the key properties of N-ethyl-2-[4-[methyl(2-phenylethyl)amino]-6-oxopyridazin-1-yl]acetamide?
N-ethyl-2-[4-[methyl(2-phenylethyl)amino]-6-oxopyridazin-1-yl]acetamide has a molecular weight of 314.39 g/mol, XLogP of 1.06, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[4-[methyl(2-phenylethyl)amino]-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 56887820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).