[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate

C15H17N3O4 — CID 7195054

IUPAC[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate
SMILESC[C@@H](OC(=O)C1=NNC(=O)CC1)C(=O)N(C)c1ccccc1
InChIInChI=1S/C15H17N3O4/c1-10(14(20)18(2)11-6-4-3-5-7-11)22-15(21)12-8-9-13(19)17-16-12/h3-7,10H,8-9H2,1-2H3,(H,17,19)/t10-/m1/s1
InChIKeyXHJZJUXMHLJWDD-SNVBAGLBSA-N
MW303.32 g/mol
LogP0.85
Rot. Bonds4

About [(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate

[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate (PubChem CID 7195054) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is [(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate.

Molecular Properties

Compound Name[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate
PubChem CID7195054
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC Name[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate
SMILESC[C@@H](OC(=O)C1=NNC(=O)CC1)C(=O)N(C)c1ccccc1
InChIInChI=1S/C15H17N3O4/c1-10(14(20)18(2)11-6-4-3-5-7-11)22-15(21)12-8-9-13(19)17-16-12/h3-7,10H,8-9H2,1-2H3,(H,17,19)/t10-/m1/s1
InChIKeyXHJZJUXMHLJWDD-SNVBAGLBSA-N
XLogP0.85
TPSA88.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate with MolForge

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Related Compounds

[(2R)-1-(benzylamino)-1-oxopropan-2-yl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate
CID 7195012
[(2S)-1-oxo-1-(4-phenoxyanilino)propan-2-yl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate
CID 7194863
2-O-[(2S)-1-(N-methylanilino)-1-oxopropan-2-yl] 6-O-[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] pyridine-2,6-dicarboxylate
CID 29248727
[(1S)-1-(2-chlorophenyl)ethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate
CID 7211452
[(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate
CID 7202549
[1-(N-methylanilino)-1-oxopropan-2-yl] 4-bromobenzoate
CID 55318611
[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] pyridine-4-carboxylate
CID 2626159
[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-hydroxybenzoate
CID 7797953
[1-(N-methylanilino)-1-oxopropan-2-yl] 1-methyl-6-oxopyridazine-3-carboxylate
CID 55734895
[(2R)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate
CID 7211279
[1-(N-methylanilino)-1-oxopropan-2-yl] 3,5-bis(trifluoromethyl)benzoate
CID 55314334
[(2S)-1-(4-cyanoanilino)-1-oxopropan-2-yl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate
CID 7211340

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate?
The IUPAC name of [(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate (CID 7195054) is [(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate.
What is the SMILES notation for [(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate?
The canonical SMILES for [(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate is C[C@@H](OC(=O)C1=NNC(=O)CC1)C(=O)N(C)c1ccccc1.
What is the InChIKey of [(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate?
The InChIKey is XHJZJUXMHLJWDD-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H17N3O4/c1-10(14(20)18(2)11-6-4-3-5-7-11)22-15(21)12-8-9-13(19)17-16-12/h3-7,10H,8-9H2,1-2H3,(H,17,19)/t10-/m1/s1.
What are the key properties of [(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate?
[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate has a molecular weight of 303.32 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate is sourced from PubChem (CID 7195054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).