2-methoxyethyl N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]carbamate

C14H17N3O4 — CID 12805018

IUPAC2-methoxyethyl N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]carbamate
SMILESCOCCOC(=O)Nc1ccc(C2=NNC(=O)CC2)cc1
InChIInChI=1S/C14H17N3O4/c1-20-8-9-21-14(19)15-11-4-2-10(3-5-11)12-6-7-13(18)17-16-12/h2-5H,6-9H2,1H3,(H,15,19)(H,17,18)
InChIKeyNGBKMIYVLRKUKB-UHFFFAOYSA-N
MW291.31 g/mol
LogP1.50
Rot. Bonds5

About 2-methoxyethyl N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]carbamate

2-methoxyethyl N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]carbamate (PubChem CID 12805018) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is 2-methoxyethyl N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]carbamate.

Molecular Properties

Compound Name2-methoxyethyl N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]carbamate
PubChem CID12805018
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Name2-methoxyethyl N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]carbamate
SMILESCOCCOC(=O)Nc1ccc(C2=NNC(=O)CC2)cc1
InChIInChI=1S/C14H17N3O4/c1-20-8-9-21-14(19)15-11-4-2-10(3-5-11)12-6-7-13(18)17-16-12/h2-5H,6-9H2,1H3,(H,15,19)(H,17,18)
InChIKeyNGBKMIYVLRKUKB-UHFFFAOYSA-N
XLogP1.50
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]pyridine-2-carboxamide
CID 70375040
3-[4-(2-aminoethoxy)phenyl]-4,5-dihydro-1H-pyridazin-6-one
CID 14441866
N-[2-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]ethyl]acetamide
CID 70613417
2-acetamido-3-methyl-N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]butanamide
CID 102554949
4-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)anilino]butyl 3-aminobut-2-enoate
CID 70373782
tert-butyl N-[2-[[2-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetyl]amino]ethyl]carbamate
CID 14884400
N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 102559060
3-[4-(6-hydroxyhexylamino)phenyl]-4,5-dihydro-1H-pyridazin-6-one
CID 14373575
cyclopropylmethyl N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]carbamate
CID 12805020
[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]methyl (Z)-3-aminobut-2-enoate
CID 70049071
3-[4-(2-chloroethoxy)phenyl]-4,5-dihydro-1H-pyridazin-6-one
CID 70044554
3-[4-(dimethylamino)phenyl]-4,5-dihydro-1H-pyridazin-6-one
CID 119091390

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]carbamate?
The IUPAC name of 2-methoxyethyl N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]carbamate (CID 12805018) is 2-methoxyethyl N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]carbamate.
What is the SMILES notation for 2-methoxyethyl N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]carbamate?
The canonical SMILES for 2-methoxyethyl N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]carbamate is COCCOC(=O)Nc1ccc(C2=NNC(=O)CC2)cc1.
What is the InChIKey of 2-methoxyethyl N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]carbamate?
The InChIKey is NGBKMIYVLRKUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c1-20-8-9-21-14(19)15-11-4-2-10(3-5-11)12-6-7-13(18)17-16-12/h2-5H,6-9H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 2-methoxyethyl N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]carbamate?
2-methoxyethyl N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]carbamate has a molecular weight of 291.31 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]carbamate is sourced from PubChem (CID 12805018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).