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

C13H14ClN3O2 — CID 86273638

IUPACN-[2-chloro-4-[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C2=NNC(=O)C[C@H]2C)cc1Cl
InChIInChI=1S/C13H14ClN3O2/c1-7-5-12(19)16-17-13(7)9-3-4-11(10(14)6-9)15-8(2)18/h3-4,6-7H,5H2,1-2H3,(H,15,18)(H,16,19)/t7-/m1/s1
InChIKeyHPCQOMJDWMEKJA-SSDOTTSWSA-N
MW279.73 g/mol
LogP2.16
Rot. Bonds2

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

N-[2-chloro-4-[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]acetamide (PubChem CID 86273638) has the molecular formula C13H14ClN3O2 and a molecular weight of 279.73 g/mol. Its IUPAC name is N-[2-chloro-4-[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-chloro-4-[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]acetamide
PubChem CID86273638
Molecular FormulaC13H14ClN3O2
Molecular Weight279.73 g/mol
Exact Mass279.08
IUPAC NameN-[2-chloro-4-[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C2=NNC(=O)C[C@H]2C)cc1Cl
InChIInChI=1S/C13H14ClN3O2/c1-7-5-12(19)16-17-13(7)9-3-4-11(10(14)6-9)15-8(2)18/h3-4,6-7H,5H2,1-2H3,(H,15,18)(H,16,19)/t7-/m1/s1
InChIKeyHPCQOMJDWMEKJA-SSDOTTSWSA-N
XLogP2.16
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]acetamide?
The IUPAC name of N-[2-chloro-4-[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]acetamide (CID 86273638) is N-[2-chloro-4-[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]acetamide.
What is the SMILES notation for N-[2-chloro-4-[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]acetamide?
The canonical SMILES for N-[2-chloro-4-[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]acetamide is CC(=O)Nc1ccc(C2=NNC(=O)C[C@H]2C)cc1Cl.
What is the InChIKey of N-[2-chloro-4-[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]acetamide?
The InChIKey is HPCQOMJDWMEKJA-SSDOTTSWSA-N. The full InChI is InChI=1S/C13H14ClN3O2/c1-7-5-12(19)16-17-13(7)9-3-4-11(10(14)6-9)15-8(2)18/h3-4,6-7H,5H2,1-2H3,(H,15,18)(H,16,19)/t7-/m1/s1.
What are the key properties of N-[2-chloro-4-[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]acetamide?
N-[2-chloro-4-[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]acetamide has a molecular weight of 279.73 g/mol, XLogP of 2.16, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]acetamide is sourced from PubChem (CID 86273638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).