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

C17H21N3O3 — CID 110795705

IUPACN-[2-(4-methoxy-2,3,5-trimethylphenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCOc1c(C)cc(CCNC(=O)c2ccc(=O)[nH]n2)c(C)c1C
InChIInChI=1S/C17H21N3O3/c1-10-9-13(11(2)12(3)16(10)23-4)7-8-18-17(22)14-5-6-15(21)20-19-14/h5-6,9H,7-8H2,1-4H3,(H,18,22)(H,20,21)
InChIKeyLUJNKTYOEMSFPL-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.68
Rot. Bonds5

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

N-[2-(4-methoxy-2,3,5-trimethylphenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 110795705) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-[2-(4-methoxy-2,3,5-trimethylphenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxy-2,3,5-trimethylphenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID110795705
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC NameN-[2-(4-methoxy-2,3,5-trimethylphenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCOc1c(C)cc(CCNC(=O)c2ccc(=O)[nH]n2)c(C)c1C
InChIInChI=1S/C17H21N3O3/c1-10-9-13(11(2)12(3)16(10)23-4)7-8-18-17(22)14-5-6-15(21)20-19-14/h5-6,9H,7-8H2,1-4H3,(H,18,22)(H,20,21)
InChIKeyLUJNKTYOEMSFPL-UHFFFAOYSA-N
XLogP1.68
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-oxo-N-[2-(2,4,5-trimethylphenyl)ethyl]-1H-pyridazine-3-carboxamide
CID 110795749
N-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110795779
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]pyrazine-2-carboxamide
CID 110795702
N-[(4-methoxy-2,5-dimethylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110793666
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
2-(4-methoxy-2,3,5-trimethylphenyl)ethanol
CID 82469086
6-oxo-N-[2-[(2-phenylacetyl)amino]ethyl]-1H-pyridazine-3-carboxamide
CID 108539979

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxy-2,3,5-trimethylphenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[2-(4-methoxy-2,3,5-trimethylphenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide (CID 110795705) is N-[2-(4-methoxy-2,3,5-trimethylphenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[2-(4-methoxy-2,3,5-trimethylphenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[2-(4-methoxy-2,3,5-trimethylphenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide is COc1c(C)cc(CCNC(=O)c2ccc(=O)[nH]n2)c(C)c1C.
What is the InChIKey of N-[2-(4-methoxy-2,3,5-trimethylphenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is LUJNKTYOEMSFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-10-9-13(11(2)12(3)16(10)23-4)7-8-18-17(22)14-5-6-15(21)20-19-14/h5-6,9H,7-8H2,1-4H3,(H,18,22)(H,20,21).
What are the key properties of N-[2-(4-methoxy-2,3,5-trimethylphenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide?
N-[2-(4-methoxy-2,3,5-trimethylphenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 315.37 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxy-2,3,5-trimethylphenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 110795705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).