2-(3,4-dimethyl-6-oxopyridazin-1-yl)-N-[(1R)-1-(1-methylimidazol-2-yl)butyl]acetamide

C16H23N5O2 — CID 125437638

IUPAC2-(3,4-dimethyl-6-oxopyridazin-1-yl)-N-[(1R)-1-(1-methylimidazol-2-yl)butyl]acetamide
SMILESCCC[C@@H](NC(=O)Cn1nc(C)c(C)cc1=O)c1nccn1C
InChIInChI=1S/C16H23N5O2/c1-5-6-13(16-17-7-8-20(16)4)18-14(22)10-21-15(23)9-11(2)12(3)19-21/h7-9,13H,5-6,10H2,1-4H3,(H,18,22)/t13-/m1/s1
InChIKeyZCHFXDCNOKRUDN-CYBMUJFWSA-N
MW317.39 g/mol
LogP1.25
Rot. Bonds6

About 2-(3,4-dimethyl-6-oxopyridazin-1-yl)-N-[(1R)-1-(1-methylimidazol-2-yl)butyl]acetamide

2-(3,4-dimethyl-6-oxopyridazin-1-yl)-N-[(1R)-1-(1-methylimidazol-2-yl)butyl]acetamide (PubChem CID 125437638) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-(3,4-dimethyl-6-oxopyridazin-1-yl)-N-[(1R)-1-(1-methylimidazol-2-yl)butyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethyl-6-oxopyridazin-1-yl)-N-[(1R)-1-(1-methylimidazol-2-yl)butyl]acetamide
PubChem CID125437638
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Name2-(3,4-dimethyl-6-oxopyridazin-1-yl)-N-[(1R)-1-(1-methylimidazol-2-yl)butyl]acetamide
SMILESCCC[C@@H](NC(=O)Cn1nc(C)c(C)cc1=O)c1nccn1C
InChIInChI=1S/C16H23N5O2/c1-5-6-13(16-17-7-8-20(16)4)18-14(22)10-21-15(23)9-11(2)12(3)19-21/h7-9,13H,5-6,10H2,1-4H3,(H,18,22)/t13-/m1/s1
InChIKeyZCHFXDCNOKRUDN-CYBMUJFWSA-N
XLogP1.25
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-N-[1-(1-methylimidazol-2-yl)butyl]thiophene-2-carboxamide
CID 118793775
N-[1-(1-methylimidazol-2-yl)butyl]-3-(5-methyltetrazol-1-yl)propanamide
CID 135101819
N-[(1S)-1-(1-methylimidazol-2-yl)butyl]-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide
CID 97150643
1-methyl-N-[1-(1-methylimidazol-2-yl)butyl]pyrazole-3-carboxamide
CID 122567737
3-(2,4-dioxopyrimidin-1-yl)-N-[1-(1-methylimidazol-2-yl)butyl]propanamide
CID 91797052
1-cyclobutyl-3-[1-(1-methylimidazol-2-yl)butyl]urea
CID 122560812
N-[(1S)-1-(1-methylimidazol-2-yl)butyl]-2-phenylmethoxyacetamide
CID 125443273
N-[(1R)-1-(1-methylimidazol-2-yl)butyl]-2-oxo-2-pyrrolidin-1-ylacetamide
CID 125178024
3-cyano-N-[1-(1-methylimidazol-2-yl)butyl]benzamide
CID 56738213
2-(3,4-dimethyl-6-oxopyridazin-1-yl)-N-[(3R,4S)-1-(2-methoxyethyl)-4-propylpyrrolidin-3-yl]acetamide
CID 72885800
3-(3-chloro-1H-1,2,4-triazol-5-yl)-N-[(1S)-1-(1-methylimidazol-2-yl)butyl]propanamide
CID 125437651
N-[(1R)-1-(1-methylimidazol-2-yl)butyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 125435014

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethyl-6-oxopyridazin-1-yl)-N-[(1R)-1-(1-methylimidazol-2-yl)butyl]acetamide?
The IUPAC name of 2-(3,4-dimethyl-6-oxopyridazin-1-yl)-N-[(1R)-1-(1-methylimidazol-2-yl)butyl]acetamide (CID 125437638) is 2-(3,4-dimethyl-6-oxopyridazin-1-yl)-N-[(1R)-1-(1-methylimidazol-2-yl)butyl]acetamide.
What is the SMILES notation for 2-(3,4-dimethyl-6-oxopyridazin-1-yl)-N-[(1R)-1-(1-methylimidazol-2-yl)butyl]acetamide?
The canonical SMILES for 2-(3,4-dimethyl-6-oxopyridazin-1-yl)-N-[(1R)-1-(1-methylimidazol-2-yl)butyl]acetamide is CCC[C@@H](NC(=O)Cn1nc(C)c(C)cc1=O)c1nccn1C.
What is the InChIKey of 2-(3,4-dimethyl-6-oxopyridazin-1-yl)-N-[(1R)-1-(1-methylimidazol-2-yl)butyl]acetamide?
The InChIKey is ZCHFXDCNOKRUDN-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-5-6-13(16-17-7-8-20(16)4)18-14(22)10-21-15(23)9-11(2)12(3)19-21/h7-9,13H,5-6,10H2,1-4H3,(H,18,22)/t13-/m1/s1.
What are the key properties of 2-(3,4-dimethyl-6-oxopyridazin-1-yl)-N-[(1R)-1-(1-methylimidazol-2-yl)butyl]acetamide?
2-(3,4-dimethyl-6-oxopyridazin-1-yl)-N-[(1R)-1-(1-methylimidazol-2-yl)butyl]acetamide has a molecular weight of 317.39 g/mol, XLogP of 1.25, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethyl-6-oxopyridazin-1-yl)-N-[(1R)-1-(1-methylimidazol-2-yl)butyl]acetamide is sourced from PubChem (CID 125437638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).