N-[2-(2-methylpropoxy)phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

C15H19N3O3 — CID 60934176

IUPACN-[2-(2-methylpropoxy)phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCC(C)COc1ccccc1NC(=O)C1=NNC(=O)CC1
InChIInChI=1S/C15H19N3O3/c1-10(2)9-21-13-6-4-3-5-11(13)16-15(20)12-7-8-14(19)18-17-12/h3-6,10H,7-9H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyRTEWEWSKHKBVCK-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.93
Rot. Bonds5

About N-[2-(2-methylpropoxy)phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

N-[2-(2-methylpropoxy)phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 60934176) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is N-[2-(2-methylpropoxy)phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methylpropoxy)phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID60934176
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC NameN-[2-(2-methylpropoxy)phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCC(C)COc1ccccc1NC(=O)C1=NNC(=O)CC1
InChIInChI=1S/C15H19N3O3/c1-10(2)9-21-13-6-4-3-5-11(13)16-15(20)12-7-8-14(19)18-17-12/h3-6,10H,7-9H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyRTEWEWSKHKBVCK-UHFFFAOYSA-N
XLogP1.93
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]phenoxy]acetic acid
CID 63747208
6-oxo-N-[2-(trifluoromethoxy)phenyl]-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 43402110
N-[2-[2-(azepan-1-yl)ethoxy]phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 46951715
5-bromo-N-[2-(2-methylpropoxy)phenyl]pyridine-2-carboxamide
CID 62952857
2-chloro-N-[2-(2-methylpropoxy)phenyl]benzamide
CID 17074225
N-(2-methylpropoxy)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 115410093
N-(2-fluoro-3-methylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 113351750
6-oxo-N-(2-prop-2-enylsulfanylphenyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 60659704
4-amino-N-[2-(2-methylpropoxy)phenyl]benzamide
CID 60927264
(2S)-2-amino-N-[2-(2-methylpropoxy)phenyl]propanamide
CID 93360503
N,N'-bis[2-(2-methylpropoxy)phenyl]hexanediamide
CID 17074524
1-ethyl-N-[2-(2-methylpropoxy)phenyl]-3-propan-2-ylpyrazole-5-carboxamide
CID 87027958

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpropoxy)phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[2-(2-methylpropoxy)phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 60934176) is N-[2-(2-methylpropoxy)phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[2-(2-methylpropoxy)phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[2-(2-methylpropoxy)phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is CC(C)COc1ccccc1NC(=O)C1=NNC(=O)CC1.
What is the InChIKey of N-[2-(2-methylpropoxy)phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is RTEWEWSKHKBVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-10(2)9-21-13-6-4-3-5-11(13)16-15(20)12-7-8-14(19)18-17-12/h3-6,10H,7-9H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of N-[2-(2-methylpropoxy)phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
N-[2-(2-methylpropoxy)phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 289.33 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpropoxy)phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 60934176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).