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

C14H17N3O2 — CID 70613417

IUPACN-[2-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]ethyl]acetamide
SMILESCC(=O)NCCc1ccc(C2=NNC(=O)CC2)cc1
InChIInChI=1S/C14H17N3O2/c1-10(18)15-9-8-11-2-4-12(5-3-11)13-6-7-14(19)17-16-13/h2-5H,6-9H2,1H3,(H,15,18)(H,17,19)
InChIKeyOBIKVPNJIFXDIW-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.98
Rot. Bonds4

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

N-[2-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]ethyl]acetamide (PubChem CID 70613417) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-[2-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]ethyl]acetamide
PubChem CID70613417
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-[2-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]ethyl]acetamide
SMILESCC(=O)NCCc1ccc(C2=NNC(=O)CC2)cc1
InChIInChI=1S/C14H17N3O2/c1-10(18)15-9-8-11-2-4-12(5-3-11)13-6-7-14(19)17-16-13/h2-5H,6-9H2,1H3,(H,15,18)(H,17,19)
InChIKeyOBIKVPNJIFXDIW-UHFFFAOYSA-N
XLogP0.98
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-[[2-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetyl]amino]ethyl]carbamate
CID 14884400
N-[2-[4-[[(2S)-oxiran-2-yl]methoxy]phenyl]ethyl]-2-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]acetamide
CID 59706613
3-[4-(2-methylpropyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one
CID 10537448
[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]methyl (Z)-3-aminobut-2-enoate
CID 70049071
N-[2-[4-(2-cyclopropylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)phenyl]ethyl]acetamide
CID 135903787
2-acetamido-3-methyl-N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]butanamide
CID 102554949
2-methoxyethyl N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]carbamate
CID 12805018
N-[2-(4-methylphenyl)ethyl]acetamide;hydrochloride
CID 67025739
3-[4-(dimethylamino)phenyl]-4,5-dihydro-1H-pyridazin-6-one
CID 119091390
3-[4-(6-hydroxyhexylamino)phenyl]-4,5-dihydro-1H-pyridazin-6-one
CID 14373575
3-[4-[2-[(1,2-dihydroxy-3-naphthalen-1-ylpropyl)amino]ethyl]phenyl]-4,5-dihydro-1H-pyridazin-6-one
CID 19884656
ethane;N-[2-(4-methylphenyl)ethyl]acetamide;molecular hydrogen
CID 142068448

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]ethyl]acetamide?
The IUPAC name of N-[2-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]ethyl]acetamide (CID 70613417) is N-[2-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]ethyl]acetamide.
What is the SMILES notation for N-[2-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]ethyl]acetamide?
The canonical SMILES for N-[2-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]ethyl]acetamide is CC(=O)NCCc1ccc(C2=NNC(=O)CC2)cc1.
What is the InChIKey of N-[2-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]ethyl]acetamide?
The InChIKey is OBIKVPNJIFXDIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-10(18)15-9-8-11-2-4-12(5-3-11)13-6-7-14(19)17-16-13/h2-5H,6-9H2,1H3,(H,15,18)(H,17,19).
What are the key properties of N-[2-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]ethyl]acetamide?
N-[2-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]ethyl]acetamide has a molecular weight of 259.31 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]ethyl]acetamide is sourced from PubChem (CID 70613417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).