6-oxo-N-[2-(2,4,5-trimethylphenyl)ethyl]-1H-pyridazine-3-carboxamide

C16H19N3O2 — CID 110795749

IUPAC6-oxo-N-[2-(2,4,5-trimethylphenyl)ethyl]-1H-pyridazine-3-carboxamide
SMILESCc1cc(C)c(CCNC(=O)c2ccc(=O)[nH]n2)cc1C
InChIInChI=1S/C16H19N3O2/c1-10-8-12(3)13(9-11(10)2)6-7-17-16(21)14-4-5-15(20)19-18-14/h4-5,8-9H,6-7H2,1-3H3,(H,17,21)(H,19,20)
InChIKeyFZFZMUFWUKEIKM-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.67
Rot. Bonds4

About 6-oxo-N-[2-(2,4,5-trimethylphenyl)ethyl]-1H-pyridazine-3-carboxamide

6-oxo-N-[2-(2,4,5-trimethylphenyl)ethyl]-1H-pyridazine-3-carboxamide (PubChem CID 110795749) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 6-oxo-N-[2-(2,4,5-trimethylphenyl)ethyl]-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-[2-(2,4,5-trimethylphenyl)ethyl]-1H-pyridazine-3-carboxamide
PubChem CID110795749
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name6-oxo-N-[2-(2,4,5-trimethylphenyl)ethyl]-1H-pyridazine-3-carboxamide
SMILESCc1cc(C)c(CCNC(=O)c2ccc(=O)[nH]n2)cc1C
InChIInChI=1S/C16H19N3O2/c1-10-8-12(3)13(9-11(10)2)6-7-17-16(21)14-4-5-15(20)19-18-14/h4-5,8-9H,6-7H2,1-3H3,(H,17,21)(H,19,20)
InChIKeyFZFZMUFWUKEIKM-UHFFFAOYSA-N
XLogP1.67
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110795449
N-[2-(4-methoxy-2,3,5-trimethylphenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110795705
N-[(4-methoxy-2,5-dimethylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110793666
N-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110795779
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110742816
N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110742902
N-[(2-methylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 31251595
6-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyridazine-3-carboxamide
CID 49411682
N-(3-amino-3-oxopropyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 103710654
6-oxo-N-[2-[(2-phenylacetyl)amino]ethyl]-1H-pyridazine-3-carboxamide
CID 108539979
N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110794810
N-[2-(methylsulfamoyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 102685093

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-[2-(2,4,5-trimethylphenyl)ethyl]-1H-pyridazine-3-carboxamide?
The IUPAC name of 6-oxo-N-[2-(2,4,5-trimethylphenyl)ethyl]-1H-pyridazine-3-carboxamide (CID 110795749) is 6-oxo-N-[2-(2,4,5-trimethylphenyl)ethyl]-1H-pyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-[2-(2,4,5-trimethylphenyl)ethyl]-1H-pyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-N-[2-(2,4,5-trimethylphenyl)ethyl]-1H-pyridazine-3-carboxamide is Cc1cc(C)c(CCNC(=O)c2ccc(=O)[nH]n2)cc1C.
What is the InChIKey of 6-oxo-N-[2-(2,4,5-trimethylphenyl)ethyl]-1H-pyridazine-3-carboxamide?
The InChIKey is FZFZMUFWUKEIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-10-8-12(3)13(9-11(10)2)6-7-17-16(21)14-4-5-15(20)19-18-14/h4-5,8-9H,6-7H2,1-3H3,(H,17,21)(H,19,20).
What are the key properties of 6-oxo-N-[2-(2,4,5-trimethylphenyl)ethyl]-1H-pyridazine-3-carboxamide?
6-oxo-N-[2-(2,4,5-trimethylphenyl)ethyl]-1H-pyridazine-3-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-[2-(2,4,5-trimethylphenyl)ethyl]-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 110795749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).