N-[1-(2-methoxyphenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide

C14H15N3O3 — CID 42886245

IUPACN-[1-(2-methoxyphenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCOc1ccccc1C(C)NC(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C14H15N3O3/c1-9(10-5-3-4-6-12(10)20-2)15-14(19)11-7-8-13(18)17-16-11/h3-9H,1-2H3,(H,15,19)(H,17,18)
InChIKeyFHKTVXWFSARBBZ-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.27
Rot. Bonds4

About N-[1-(2-methoxyphenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide

N-[1-(2-methoxyphenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 42886245) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is N-[1-(2-methoxyphenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-methoxyphenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID42886245
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC NameN-[1-(2-methoxyphenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCOc1ccccc1C(C)NC(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C14H15N3O3/c1-9(10-5-3-4-6-12(10)20-2)15-14(19)11-7-8-13(18)17-16-11/h3-9H,1-2H3,(H,15,19)(H,17,18)
InChIKeyFHKTVXWFSARBBZ-UHFFFAOYSA-N
XLogP1.27
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-methoxyphenyl)ethyl]-2H-triazole-4-carboxamide
CID 47334802
N-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 38979661
N-[(1S)-1-naphthalen-2-ylethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 38619235
N-[1-(4-chlorophenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 42893197
N-[(1S)-1-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 51474665
N-(4-aminobutan-2-yl)-6-oxo-1H-pyridazine-3-carboxamide
CID 103942956
N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-(methylamino)benzamide
CID 81390779
N-[2-(4-methoxy-3-propan-2-ylphenyl)-2-oxoethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110669151
1-(4-fluorophenyl)-N-[1-(2-methoxyphenyl)ethyl]pyrazole-3-carboxamide
CID 43071731
N-(1-cyanoethyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 82281497
(2R)-2-(2-chlorophenyl)-2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]acetic acid
CID 107314268
N-[1-(2-methoxyphenyl)ethyl]-1-methyl-6-oxopyridine-3-carboxamide
CID 75461927

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyphenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[1-(2-methoxyphenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide (CID 42886245) is N-[1-(2-methoxyphenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[1-(2-methoxyphenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[1-(2-methoxyphenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide is COc1ccccc1C(C)NC(=O)c1ccc(=O)[nH]n1.
What is the InChIKey of N-[1-(2-methoxyphenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is FHKTVXWFSARBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-9(10-5-3-4-6-12(10)20-2)15-14(19)11-7-8-13(18)17-16-11/h3-9H,1-2H3,(H,15,19)(H,17,18).
What are the key properties of N-[1-(2-methoxyphenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide?
N-[1-(2-methoxyphenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 273.29 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyphenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 42886245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).