N-[2-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

C18H25N3O3 — CID 110795450

IUPACN-[2-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCOc1cc(C)c(CCNC(=O)C2=NNC(=O)CC2)cc1C(C)C
InChIInChI=1S/C18H25N3O3/c1-11(2)14-10-13(12(3)9-16(14)24-4)7-8-19-18(23)15-5-6-17(22)21-20-15/h9-11H,5-8H2,1-4H3,(H,19,23)(H,21,22)
InChIKeyVCKGNWRXVNOMEK-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.05
Rot. Bonds6

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

N-[2-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 110795450) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-[2-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID110795450
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC NameN-[2-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCOc1cc(C)c(CCNC(=O)C2=NNC(=O)CC2)cc1C(C)C
InChIInChI=1S/C18H25N3O3/c1-11(2)14-10-13(12(3)9-16(14)24-4)7-8-19-18(23)15-5-6-17(22)21-20-15/h9-11H,5-8H2,1-4H3,(H,19,23)(H,21,22)
InChIKeyVCKGNWRXVNOMEK-UHFFFAOYSA-N
XLogP2.05
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide with MolForge

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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-(5-chloro-2-methoxy-3-methylphenyl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 110795721
N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 110795817
6-oxo-N-[2-(3,4,5-trimethoxyphenyl)ethyl]-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 146025493
N-[2-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110795449
N-(4-methoxy-3-propan-2-ylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 110792592
N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 110662836
N-[(5-chloro-2-methoxyphenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 110793485
N-[(5-acetamido-2-methoxyphenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 110794427
N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]acetamide
CID 110781243
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 110742749
N-(cyanomethyl)-2-(4-methoxy-2-methyl-5-propan-2-ylphenyl)acetamide
CID 96665573

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[2-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 110795450) is N-[2-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[2-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[2-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is COc1cc(C)c(CCNC(=O)C2=NNC(=O)CC2)cc1C(C)C.
What is the InChIKey of N-[2-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is VCKGNWRXVNOMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-11(2)14-10-13(12(3)9-16(14)24-4)7-8-19-18(23)15-5-6-17(22)21-20-15/h9-11H,5-8H2,1-4H3,(H,19,23)(H,21,22).
What are the key properties of N-[2-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
N-[2-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 2.05, 6 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-methyl-5-propan-2-ylphenyl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 110795450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).