ethyl N-[4-[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]carbamate

C14H17N3O3 — CID 23647031

IUPACethyl N-[4-[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(C2=NNC(=O)C[C@H]2C)cc1
InChIInChI=1S/C14H17N3O3/c1-3-20-14(19)15-11-6-4-10(5-7-11)13-9(2)8-12(18)16-17-13/h4-7,9H,3,8H2,1-2H3,(H,15,19)(H,16,18)/t9-/m1/s1
InChIKeyLLOHDKPSKQNASI-SECBINFHSA-N
MW275.31 g/mol
LogP2.12
Rot. Bonds3

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

ethyl N-[4-[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]carbamate (PubChem CID 23647031) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is ethyl N-[4-[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]carbamate
PubChem CID23647031
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Nameethyl N-[4-[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(C2=NNC(=O)C[C@H]2C)cc1
InChIInChI=1S/C14H17N3O3/c1-3-20-14(19)15-11-6-4-10(5-7-11)13-9(2)8-12(18)16-17-13/h4-7,9H,3,8H2,1-2H3,(H,15,19)(H,16,18)/t9-/m1/s1
InChIKeyLLOHDKPSKQNASI-SECBINFHSA-N
XLogP2.12
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]carbamate?
The IUPAC name of ethyl N-[4-[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]carbamate (CID 23647031) is ethyl N-[4-[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]carbamate.
What is the SMILES notation for ethyl N-[4-[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]carbamate?
The canonical SMILES for ethyl N-[4-[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]carbamate is CCOC(=O)Nc1ccc(C2=NNC(=O)C[C@H]2C)cc1.
What is the InChIKey of ethyl N-[4-[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]carbamate?
The InChIKey is LLOHDKPSKQNASI-SECBINFHSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-3-20-14(19)15-11-6-4-10(5-7-11)13-9(2)8-12(18)16-17-13/h4-7,9H,3,8H2,1-2H3,(H,15,19)(H,16,18)/t9-/m1/s1.
What are the key properties of ethyl N-[4-[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]carbamate?
ethyl N-[4-[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]carbamate has a molecular weight of 275.31 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]carbamate is sourced from PubChem (CID 23647031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).