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

C17H19N3O4 — CID 110669151

IUPACN-[2-(4-methoxy-3-propan-2-ylphenyl)-2-oxoethyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCOc1ccc(C(=O)CNC(=O)c2ccc(=O)[nH]n2)cc1C(C)C
InChIInChI=1S/C17H19N3O4/c1-10(2)12-8-11(4-6-15(12)24-3)14(21)9-18-17(23)13-5-7-16(22)20-19-13/h4-8,10H,9H2,1-3H3,(H,18,23)(H,20,22)
InChIKeyGFOPNYKQMKXLBM-UHFFFAOYSA-N
MW329.36 g/mol
LogP1.51
Rot. Bonds6

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

N-[2-(4-methoxy-3-propan-2-ylphenyl)-2-oxoethyl]-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 110669151) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is N-[2-(4-methoxy-3-propan-2-ylphenyl)-2-oxoethyl]-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxy-3-propan-2-ylphenyl)-2-oxoethyl]-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID110669151
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC NameN-[2-(4-methoxy-3-propan-2-ylphenyl)-2-oxoethyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCOc1ccc(C(=O)CNC(=O)c2ccc(=O)[nH]n2)cc1C(C)C
InChIInChI=1S/C17H19N3O4/c1-10(2)12-8-11(4-6-15(12)24-3)14(21)9-18-17(23)13-5-7-16(22)20-19-13/h4-8,10H,9H2,1-3H3,(H,18,23)(H,20,22)
InChIKeyGFOPNYKQMKXLBM-UHFFFAOYSA-N
XLogP1.51
TPSA101.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110795449
N-[1-(2-methoxyphenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 42886245
2-(1H-indol-3-yl)-N-[2-(4-methoxy-3-propan-2-ylphenyl)-2-oxoethyl]acetamide
CID 110669146
N-[(4-methoxy-2,5-dimethylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110793666
1-(4-methoxy-3-propan-2-ylphenyl)-3-(propan-2-ylamino)propan-1-one
CID 94275905
N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110673301
N-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110795779
N-[(2R)-2-(dimethylamino)-3-methylbutyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 94182994
4-amino-1-(4-methoxy-3-propan-2-ylphenyl)butan-1-one
CID 82367309
methyl 4-[(6-oxo-1H-pyridazine-3-carbonyl)amino]benzoate
CID 7185953
N-[(2S)-2-(diethylamino)-3-methylbutyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 38593214
(4-methylphenyl) 2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]acetate
CID 110670526

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxy-3-propan-2-ylphenyl)-2-oxoethyl]-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[2-(4-methoxy-3-propan-2-ylphenyl)-2-oxoethyl]-6-oxo-1H-pyridazine-3-carboxamide (CID 110669151) is N-[2-(4-methoxy-3-propan-2-ylphenyl)-2-oxoethyl]-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[2-(4-methoxy-3-propan-2-ylphenyl)-2-oxoethyl]-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[2-(4-methoxy-3-propan-2-ylphenyl)-2-oxoethyl]-6-oxo-1H-pyridazine-3-carboxamide is COc1ccc(C(=O)CNC(=O)c2ccc(=O)[nH]n2)cc1C(C)C.
What is the InChIKey of N-[2-(4-methoxy-3-propan-2-ylphenyl)-2-oxoethyl]-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is GFOPNYKQMKXLBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-10(2)12-8-11(4-6-15(12)24-3)14(21)9-18-17(23)13-5-7-16(22)20-19-13/h4-8,10H,9H2,1-3H3,(H,18,23)(H,20,22).
What are the key properties of N-[2-(4-methoxy-3-propan-2-ylphenyl)-2-oxoethyl]-6-oxo-1H-pyridazine-3-carboxamide?
N-[2-(4-methoxy-3-propan-2-ylphenyl)-2-oxoethyl]-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 329.36 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxy-3-propan-2-ylphenyl)-2-oxoethyl]-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 110669151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).