2-[methyl-(6-methyl-4-oxo-1-phenylpyridazine-3-carbonyl)amino]propanoic acid

C16H17N3O4 — CID 119358300

IUPAC2-[methyl-(6-methyl-4-oxo-1-phenylpyridazine-3-carbonyl)amino]propanoic acid
SMILESCc1cc(=O)c(C(=O)N(C)C(C)C(=O)O)nn1-c1ccccc1
InChIInChI=1S/C16H17N3O4/c1-10-9-13(20)14(15(21)18(3)11(2)16(22)23)17-19(10)12-7-5-4-6-8-12/h4-9,11H,1-3H3,(H,22,23)
InChIKeyQBBRGSNGYVUFPK-UHFFFAOYSA-N
MW315.33 g/mol
LogP1.09
Rot. Bonds4

About 2-[methyl-(6-methyl-4-oxo-1-phenylpyridazine-3-carbonyl)amino]propanoic acid

2-[methyl-(6-methyl-4-oxo-1-phenylpyridazine-3-carbonyl)amino]propanoic acid (PubChem CID 119358300) has the molecular formula C16H17N3O4 and a molecular weight of 315.33 g/mol. Its IUPAC name is 2-[methyl-(6-methyl-4-oxo-1-phenylpyridazine-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[methyl-(6-methyl-4-oxo-1-phenylpyridazine-3-carbonyl)amino]propanoic acid
PubChem CID119358300
Molecular FormulaC16H17N3O4
Molecular Weight315.33 g/mol
Exact Mass315.12
IUPAC Name2-[methyl-(6-methyl-4-oxo-1-phenylpyridazine-3-carbonyl)amino]propanoic acid
SMILESCc1cc(=O)c(C(=O)N(C)C(C)C(=O)O)nn1-c1ccccc1
InChIInChI=1S/C16H17N3O4/c1-10-9-13(20)14(15(21)18(3)11(2)16(22)23)17-19(10)12-7-5-4-6-8-12/h4-9,11H,1-3H3,(H,22,23)
InChIKeyQBBRGSNGYVUFPK-UHFFFAOYSA-N
XLogP1.09
TPSA92.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-N,6-dimethyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 27666115
N-[(2R)-4-methoxybutan-2-yl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 52843256
N-(1-methoxypropan-2-yl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 46522145
N-(1-aminopropan-2-yl)-N,6-dimethyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 119584444
(2S)-2-[methyl-(5-methyl-1-phenylpyrazole-4-carbonyl)amino]propanoic acid
CID 99849354
N-[2-(ethylamino)-2-oxoethyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 86909633
N-(cyclopentylmethyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 43067725
3-(azepane-1-carbonyl)-6-methyl-1-phenylpyridazin-4-one
CID 8869762
2-[[1-(3,4-dichlorophenyl)-5-methylpyrazole-3-carbonyl]-methylamino]propanoic acid
CID 120520399
1-(2-fluorophenyl)-N-[1-(2-hydroxyphenyl)ethyl]-N,6-dimethyl-4-oxopyridazine-3-carboxamide
CID 71847040
N-(3-ethyl-2-hydroxypentyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 111115964
6-methyl-4-oxo-1-(4-phenoxyphenyl)pyridazine-3-carboxylic acid
CID 94962369

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(6-methyl-4-oxo-1-phenylpyridazine-3-carbonyl)amino]propanoic acid?
The IUPAC name of 2-[methyl-(6-methyl-4-oxo-1-phenylpyridazine-3-carbonyl)amino]propanoic acid (CID 119358300) is 2-[methyl-(6-methyl-4-oxo-1-phenylpyridazine-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-[methyl-(6-methyl-4-oxo-1-phenylpyridazine-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-[methyl-(6-methyl-4-oxo-1-phenylpyridazine-3-carbonyl)amino]propanoic acid is Cc1cc(=O)c(C(=O)N(C)C(C)C(=O)O)nn1-c1ccccc1.
What is the InChIKey of 2-[methyl-(6-methyl-4-oxo-1-phenylpyridazine-3-carbonyl)amino]propanoic acid?
The InChIKey is QBBRGSNGYVUFPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4/c1-10-9-13(20)14(15(21)18(3)11(2)16(22)23)17-19(10)12-7-5-4-6-8-12/h4-9,11H,1-3H3,(H,22,23).
What are the key properties of 2-[methyl-(6-methyl-4-oxo-1-phenylpyridazine-3-carbonyl)amino]propanoic acid?
2-[methyl-(6-methyl-4-oxo-1-phenylpyridazine-3-carbonyl)amino]propanoic acid has a molecular weight of 315.33 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(6-methyl-4-oxo-1-phenylpyridazine-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 119358300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).