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

C16H19N3O4 — CID 110795779

IUPACN-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCOc1ccc(CCNC(=O)c2ccc(=O)[nH]n2)c(OC)c1C
InChIInChI=1S/C16H19N3O4/c1-10-13(22-2)6-4-11(15(10)23-3)8-9-17-16(21)12-5-7-14(20)19-18-12/h4-7H,8-9H2,1-3H3,(H,17,21)(H,19,20)
InChIKeyTUHZHZXVEKPMFY-UHFFFAOYSA-N
MW317.35 g/mol
LogP1.07
Rot. Bonds6

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

N-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 110795779) has the molecular formula C16H19N3O4 and a molecular weight of 317.35 g/mol. Its IUPAC name is N-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID110795779
Molecular FormulaC16H19N3O4
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC NameN-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCOc1ccc(CCNC(=O)c2ccc(=O)[nH]n2)c(OC)c1C
InChIInChI=1S/C16H19N3O4/c1-10-13(22-2)6-4-11(15(10)23-3)8-9-17-16(21)12-5-7-14(20)19-18-12/h4-7H,8-9H2,1-3H3,(H,17,21)(H,19,20)
InChIKeyTUHZHZXVEKPMFY-UHFFFAOYSA-N
XLogP1.07
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-methoxy-2,3,5-trimethylphenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110795705
6-oxo-N-[2-(2,4,5-trimethylphenyl)ethyl]-1H-pyridazine-3-carboxamide
CID 110795749
N-[2-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110795449
1-cyano-N-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]formamide
CID 115172516
N-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]pyridine-3-carboxamide
CID 110789703
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-(2,4-dimethoxy-3-methylphenyl)ethyl]-3H-benzimidazole-5-carboxamide
CID 110795781
N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110742902
N-(3-hydroxy-4-methoxyphenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 103600732
2-(2,4-dimethoxy-3-methylphenyl)-N-(2-phenylethyl)acetamide
CID 110769821
1-cyclopentyl-3-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]urea
CID 110775953

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide (CID 110795779) is N-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide is COc1ccc(CCNC(=O)c2ccc(=O)[nH]n2)c(OC)c1C.
What is the InChIKey of N-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is TUHZHZXVEKPMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4/c1-10-13(22-2)6-4-11(15(10)23-3)8-9-17-16(21)12-5-7-14(20)19-18-12/h4-7H,8-9H2,1-3H3,(H,17,21)(H,19,20).
What are the key properties of N-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide?
N-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 317.35 g/mol, XLogP of 1.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 110795779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).