2,2-dimethyl-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)cyclohexa-1,3-dien-1-yl]propanamide

C16H23N3O2 — CID 142082440

IUPAC2,2-dimethyl-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)cyclohexa-1,3-dien-1-yl]propanamide
SMILESCC1CC(=O)NN=C1C1=CC=C(NC(=O)C(C)(C)C)CC1
InChIInChI=1S/C16H23N3O2/c1-10-9-13(20)18-19-14(10)11-5-7-12(8-6-11)17-15(21)16(2,3)4/h5,7,10H,6,8-9H2,1-4H3,(H,17,21)(H,18,20)
InChIKeyCTLYADIXPOUZSR-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.26
Rot. Bonds2

About 2,2-dimethyl-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)cyclohexa-1,3-dien-1-yl]propanamide

2,2-dimethyl-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)cyclohexa-1,3-dien-1-yl]propanamide (PubChem CID 142082440) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2,2-dimethyl-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)cyclohexa-1,3-dien-1-yl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)cyclohexa-1,3-dien-1-yl]propanamide
PubChem CID142082440
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name2,2-dimethyl-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)cyclohexa-1,3-dien-1-yl]propanamide
SMILESCC1CC(=O)NN=C1C1=CC=C(NC(=O)C(C)(C)C)CC1
InChIInChI=1S/C16H23N3O2/c1-10-9-13(20)18-19-14(10)11-5-7-12(8-6-11)17-15(21)16(2,3)4/h5,7,10H,6,8-9H2,1-4H3,(H,17,21)(H,18,20)
InChIKeyCTLYADIXPOUZSR-UHFFFAOYSA-N
XLogP2.26
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-3-(4-methylcyclohexa-1,3-dien-1-yl)-4,5-dihydro-1H-pyridazin-6-one
CID 68248453
N-[4-amino-4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)cyclohexa-1,5-dien-1-yl]cyclohexanecarboxamide
CID 140343799
3,5-dimethyl-5-(5-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-3,4-dihydro-1H-indol-2-one
CID 141557931
ethane;N-[(2Z,4E)-1-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)hepta-2,4-dien-4-yl]cyclooctanecarboxamide
CID 142082343
3-(4-aminocyclohexa-1,3-dien-1-yl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one
CID 163925104
N-[(2Z,4E)-1-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)hepta-2,4-dien-4-yl]cyclooctanecarboxamide
CID 142082344

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)cyclohexa-1,3-dien-1-yl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)cyclohexa-1,3-dien-1-yl]propanamide (CID 142082440) is 2,2-dimethyl-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)cyclohexa-1,3-dien-1-yl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)cyclohexa-1,3-dien-1-yl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)cyclohexa-1,3-dien-1-yl]propanamide is CC1CC(=O)NN=C1C1=CC=C(NC(=O)C(C)(C)C)CC1.
What is the InChIKey of 2,2-dimethyl-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)cyclohexa-1,3-dien-1-yl]propanamide?
The InChIKey is CTLYADIXPOUZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-10-9-13(20)18-19-14(10)11-5-7-12(8-6-11)17-15(21)16(2,3)4/h5,7,10H,6,8-9H2,1-4H3,(H,17,21)(H,18,20).
What are the key properties of 2,2-dimethyl-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)cyclohexa-1,3-dien-1-yl]propanamide?
2,2-dimethyl-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)cyclohexa-1,3-dien-1-yl]propanamide has a molecular weight of 289.38 g/mol, XLogP of 2.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)cyclohexa-1,3-dien-1-yl]propanamide is sourced from PubChem (CID 142082440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).