N-[1-(4-chlorophenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide

C13H12ClN3O2 — CID 42893197

IUPACN-[1-(4-chlorophenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCC(NC(=O)c1ccc(=O)[nH]n1)c1ccc(Cl)cc1
InChIInChI=1S/C13H12ClN3O2/c1-8(9-2-4-10(14)5-3-9)15-13(19)11-6-7-12(18)17-16-11/h2-8H,1H3,(H,15,19)(H,17,18)
InChIKeyGVKDAHUIVCMMNF-UHFFFAOYSA-N
MW277.71 g/mol
LogP1.91
Rot. Bonds3

About N-[1-(4-chlorophenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide

N-[1-(4-chlorophenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 42893197) has the molecular formula C13H12ClN3O2 and a molecular weight of 277.71 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID42893197
Molecular FormulaC13H12ClN3O2
Molecular Weight277.71 g/mol
Exact Mass277.06
IUPAC NameN-[1-(4-chlorophenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCC(NC(=O)c1ccc(=O)[nH]n1)c1ccc(Cl)cc1
InChIInChI=1S/C13H12ClN3O2/c1-8(9-2-4-10(14)5-3-9)15-13(19)11-6-7-12(18)17-16-11/h2-8H,1H3,(H,15,19)(H,17,18)
InChIKeyGVKDAHUIVCMMNF-UHFFFAOYSA-N
XLogP1.91
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.71
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-naphthalen-2-ylethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 38619235
N-(4-aminobutan-2-yl)-6-oxo-1H-pyridazine-3-carboxamide
CID 103942956
N-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 95967246
6-amino-N-[1-(4-chlorophenyl)ethyl]pyridazine-3-carboxamide
CID 62159582
N-(1-cyanoethyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 82281497
N-[1-(2-methoxyphenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 42886245
N-[(1R)-1-(3,4-dichlorophenyl)butyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 95346590
N-[(3R)-2-methylpentan-3-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 94198841
N-(4-hydroxy-3-methylbutan-2-yl)-6-oxo-1H-pyridazine-3-carboxamide
CID 115735908
2-[1-[(6-oxo-1H-pyridazine-3-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66380210
4-chloro-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 4780866
6-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1H-pyridazine-3-carboxamide
CID 30539711

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[1-(4-chlorophenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide (CID 42893197) is N-[1-(4-chlorophenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[1-(4-chlorophenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide is CC(NC(=O)c1ccc(=O)[nH]n1)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is GVKDAHUIVCMMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O2/c1-8(9-2-4-10(14)5-3-9)15-13(19)11-6-7-12(18)17-16-11/h2-8H,1H3,(H,15,19)(H,17,18).
What are the key properties of N-[1-(4-chlorophenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide?
N-[1-(4-chlorophenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 277.71 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 42893197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).