2-[[(1-methyl-6-oxopyridazine-3-carbonyl)amino]methyl]butanoic acid

C11H15N3O4 — CID 65219750

IUPAC2-[[(1-methyl-6-oxopyridazine-3-carbonyl)amino]methyl]butanoic acid
SMILESCCC(CNC(=O)c1ccc(=O)n(C)n1)C(=O)O
InChIInChI=1S/C11H15N3O4/c1-3-7(11(17)18)6-12-10(16)8-4-5-9(15)14(2)13-8/h4-5,7H,3,6H2,1-2H3,(H,12,16)(H,17,18)
InChIKeyZSKZHUDRQAGXLX-UHFFFAOYSA-N
MW253.26 g/mol
LogP-0.38
Rot. Bonds5

About 2-[[(1-methyl-6-oxopyridazine-3-carbonyl)amino]methyl]butanoic acid

2-[[(1-methyl-6-oxopyridazine-3-carbonyl)amino]methyl]butanoic acid (PubChem CID 65219750) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-[[(1-methyl-6-oxopyridazine-3-carbonyl)amino]methyl]butanoic acid.

Molecular Properties

Compound Name2-[[(1-methyl-6-oxopyridazine-3-carbonyl)amino]methyl]butanoic acid
PubChem CID65219750
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name2-[[(1-methyl-6-oxopyridazine-3-carbonyl)amino]methyl]butanoic acid
SMILESCCC(CNC(=O)c1ccc(=O)n(C)n1)C(=O)O
InChIInChI=1S/C11H15N3O4/c1-3-7(11(17)18)6-12-10(16)8-4-5-9(15)14(2)13-8/h4-5,7H,3,6H2,1-2H3,(H,12,16)(H,17,18)
InChIKeyZSKZHUDRQAGXLX-UHFFFAOYSA-N
XLogP-0.38
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dihydroxypropyl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 66176866
(2R)-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]pentanoic acid
CID 107562869
N-[(2S)-butan-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 42443185
N-(4-hydroxybutan-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 81041108
N-[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 56821713
N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 47082065
4-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]butanoic acid
CID 43091994
N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 111427471
4-methyl-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]pentanoic acid
CID 43091764
1-methyl-6-oxo-N-(2-phenylethyl)pyridazine-3-carboxamide
CID 42161813
(2S)-4-amino-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]-4-oxobutanoic acid
CID 61142499
1-methyl-N-[1-(4-methylphenyl)propyl]-6-oxopyridazine-3-carboxamide
CID 78777843

Frequently Asked Questions

What is the IUPAC name of 2-[[(1-methyl-6-oxopyridazine-3-carbonyl)amino]methyl]butanoic acid?
The IUPAC name of 2-[[(1-methyl-6-oxopyridazine-3-carbonyl)amino]methyl]butanoic acid (CID 65219750) is 2-[[(1-methyl-6-oxopyridazine-3-carbonyl)amino]methyl]butanoic acid.
What is the SMILES notation for 2-[[(1-methyl-6-oxopyridazine-3-carbonyl)amino]methyl]butanoic acid?
The canonical SMILES for 2-[[(1-methyl-6-oxopyridazine-3-carbonyl)amino]methyl]butanoic acid is CCC(CNC(=O)c1ccc(=O)n(C)n1)C(=O)O.
What is the InChIKey of 2-[[(1-methyl-6-oxopyridazine-3-carbonyl)amino]methyl]butanoic acid?
The InChIKey is ZSKZHUDRQAGXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-3-7(11(17)18)6-12-10(16)8-4-5-9(15)14(2)13-8/h4-5,7H,3,6H2,1-2H3,(H,12,16)(H,17,18).
What are the key properties of 2-[[(1-methyl-6-oxopyridazine-3-carbonyl)amino]methyl]butanoic acid?
2-[[(1-methyl-6-oxopyridazine-3-carbonyl)amino]methyl]butanoic acid has a molecular weight of 253.26 g/mol, XLogP of -0.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1-methyl-6-oxopyridazine-3-carbonyl)amino]methyl]butanoic acid is sourced from PubChem (CID 65219750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).