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

C18H23N3O3 — CID 110795449

IUPACN-[2-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCOc1cc(C)c(CCNC(=O)c2ccc(=O)[nH]n2)cc1C(C)C
InChIInChI=1S/C18H23N3O3/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/h5-6,9-11H,7-8H2,1-4H3,(H,19,23)(H,21,22)
InChIKeyMARVSDSIWIUIJV-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.18
Rot. Bonds6

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

N-[2-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 110795449) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[2-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID110795449
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC NameN-[2-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCOc1cc(C)c(CCNC(=O)c2ccc(=O)[nH]n2)cc1C(C)C
InChIInChI=1S/C18H23N3O3/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/h5-6,9-11H,7-8H2,1-4H3,(H,19,23)(H,21,22)
InChIKeyMARVSDSIWIUIJV-UHFFFAOYSA-N
XLogP2.18
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.18
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-[(4-methoxy-2,5-dimethylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110793666
N-[2-(4-methoxy-2,3,5-trimethylphenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110795705
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-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 110795450
N-[2-(4-methoxy-3-propan-2-ylphenyl)-2-oxoethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110669151
N-(cyanomethyl)-2-(4-methoxy-2-methyl-5-propan-2-ylphenyl)acetamide
CID 96665573
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110742816
N-[1-(2-methoxyphenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 42886245
N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]acetamide
CID 110781243
N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]pyridine-2-carboxamide
CID 110795315
N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 46963422

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[2-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide (CID 110795449) is N-[2-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[2-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[2-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide is COc1cc(C)c(CCNC(=O)c2ccc(=O)[nH]n2)cc1C(C)C.
What is the InChIKey of N-[2-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is MARVSDSIWIUIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/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/h5-6,9-11H,7-8H2,1-4H3,(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-1H-pyridazine-3-carboxamide?
N-[2-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 2.18, 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-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 110795449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).