[4-(methoxycarbonylamino)phenyl] 1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylate

C14H15N3O5 — CID 75404080

IUPAC[4-(methoxycarbonylamino)phenyl] 1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylate
SMILESCOC(=O)Nc1ccc(OC(=O)C2=NN(C)C(=O)CC2)cc1
InChIInChI=1S/C14H15N3O5/c1-17-12(18)8-7-11(16-17)13(19)22-10-5-3-9(4-6-10)15-14(20)21-2/h3-6H,7-8H2,1-2H3,(H,15,20)
InChIKeyHATKANWHCPCTQI-UHFFFAOYSA-N
MW305.29 g/mol
LogP1.38
Rot. Bonds3

About [4-(methoxycarbonylamino)phenyl] 1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylate

[4-(methoxycarbonylamino)phenyl] 1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylate (PubChem CID 75404080) has the molecular formula C14H15N3O5 and a molecular weight of 305.29 g/mol. Its IUPAC name is [4-(methoxycarbonylamino)phenyl] 1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylate.

Molecular Properties

Compound Name[4-(methoxycarbonylamino)phenyl] 1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylate
PubChem CID75404080
Molecular FormulaC14H15N3O5
Molecular Weight305.29 g/mol
Exact Mass305.10
IUPAC Name[4-(methoxycarbonylamino)phenyl] 1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylate
SMILESCOC(=O)Nc1ccc(OC(=O)C2=NN(C)C(=O)CC2)cc1
InChIInChI=1S/C14H15N3O5/c1-17-12(18)8-7-11(16-17)13(19)22-10-5-3-9(4-6-10)15-14(20)21-2/h3-6H,7-8H2,1-2H3,(H,15,20)
InChIKeyHATKANWHCPCTQI-UHFFFAOYSA-N
XLogP1.38
TPSA97.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.29
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-(methoxycarbonylamino)phenyl] 1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylate?
The IUPAC name of [4-(methoxycarbonylamino)phenyl] 1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylate (CID 75404080) is [4-(methoxycarbonylamino)phenyl] 1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylate.
What is the SMILES notation for [4-(methoxycarbonylamino)phenyl] 1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylate?
The canonical SMILES for [4-(methoxycarbonylamino)phenyl] 1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylate is COC(=O)Nc1ccc(OC(=O)C2=NN(C)C(=O)CC2)cc1.
What is the InChIKey of [4-(methoxycarbonylamino)phenyl] 1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylate?
The InChIKey is HATKANWHCPCTQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O5/c1-17-12(18)8-7-11(16-17)13(19)22-10-5-3-9(4-6-10)15-14(20)21-2/h3-6H,7-8H2,1-2H3,(H,15,20).
What are the key properties of [4-(methoxycarbonylamino)phenyl] 1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylate?
[4-(methoxycarbonylamino)phenyl] 1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylate has a molecular weight of 305.29 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methoxycarbonylamino)phenyl] 1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylate is sourced from PubChem (CID 75404080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).