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

C16H21N3O5 — CID 146025493

IUPAC6-oxo-N-[2-(3,4,5-trimethoxyphenyl)ethyl]-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCOc1cc(CCNC(=O)C2=NNC(=O)CC2)cc(OC)c1OC
InChIInChI=1S/C16H21N3O5/c1-22-12-8-10(9-13(23-2)15(12)24-3)6-7-17-16(21)11-4-5-14(20)19-18-11/h8-9H,4-7H2,1-3H3,(H,17,21)(H,19,20)
InChIKeyCGYJXJZGESLFSP-UHFFFAOYSA-N
MW335.36 g/mol
LogP0.64
Rot. Bonds7

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

6-oxo-N-[2-(3,4,5-trimethoxyphenyl)ethyl]-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 146025493) has the molecular formula C16H21N3O5 and a molecular weight of 335.36 g/mol. Its IUPAC name is 6-oxo-N-[2-(3,4,5-trimethoxyphenyl)ethyl]-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-[2-(3,4,5-trimethoxyphenyl)ethyl]-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID146025493
Molecular FormulaC16H21N3O5
Molecular Weight335.36 g/mol
Exact Mass335.15
IUPAC Name6-oxo-N-[2-(3,4,5-trimethoxyphenyl)ethyl]-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCOc1cc(CCNC(=O)C2=NNC(=O)CC2)cc(OC)c1OC
InChIInChI=1S/C16H21N3O5/c1-22-12-8-10(9-13(23-2)15(12)24-3)6-7-17-16(21)11-4-5-14(20)19-18-11/h8-9H,4-7H2,1-3H3,(H,17,21)(H,19,20)
InChIKeyCGYJXJZGESLFSP-UHFFFAOYSA-N
XLogP0.64
TPSA98.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-methoxy-2,5-dimethylphenyl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 110795331
N-[2-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 110795450
N-[2-(3,4,5-trimethoxyphenyl)ethyl]carbamoyl bromide
CID 115193996
N-[(5-chloro-2-methoxyphenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 110793485
N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 110662836
N-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 110795908
N-[(5-acetamido-2-methoxyphenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 110794427
ethyl N-[2-(3,4,5-trimethoxyphenyl)ethyl]carbamate
CID 113095674
N-[(4-methylphenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 3291050
1-[2-(4-fluorophenyl)ethyl]-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea
CID 113217101
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 110742749
N-[2-(cyclopropanecarbonylamino)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 115569713

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-[2-(3,4,5-trimethoxyphenyl)ethyl]-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of 6-oxo-N-[2-(3,4,5-trimethoxyphenyl)ethyl]-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 146025493) is 6-oxo-N-[2-(3,4,5-trimethoxyphenyl)ethyl]-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-[2-(3,4,5-trimethoxyphenyl)ethyl]-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-N-[2-(3,4,5-trimethoxyphenyl)ethyl]-4,5-dihydro-1H-pyridazine-3-carboxamide is COc1cc(CCNC(=O)C2=NNC(=O)CC2)cc(OC)c1OC.
What is the InChIKey of 6-oxo-N-[2-(3,4,5-trimethoxyphenyl)ethyl]-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is CGYJXJZGESLFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O5/c1-22-12-8-10(9-13(23-2)15(12)24-3)6-7-17-16(21)11-4-5-14(20)19-18-11/h8-9H,4-7H2,1-3H3,(H,17,21)(H,19,20).
What are the key properties of 6-oxo-N-[2-(3,4,5-trimethoxyphenyl)ethyl]-4,5-dihydro-1H-pyridazine-3-carboxamide?
6-oxo-N-[2-(3,4,5-trimethoxyphenyl)ethyl]-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 335.36 g/mol, XLogP of 0.64, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-[2-(3,4,5-trimethoxyphenyl)ethyl]-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 146025493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).