6-(4-chlorophenyl)-N-(1-hydroxy-3-methoxypropan-2-yl)-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide

C20H19ClN4O4 — CID 142411146

IUPAC6-(4-chlorophenyl)-N-(1-hydroxy-3-methoxypropan-2-yl)-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide
SMILESCOCC(CO)NC(=O)c1cc(-c2ccc(Cl)cc2)nn(-c2cccnc2)c1=O
InChIInChI=1S/C20H19ClN4O4/c1-29-12-15(11-26)23-19(27)17-9-18(13-4-6-14(21)7-5-13)24-25(20(17)28)16-3-2-8-22-10-16/h2-10,15,26H,11-12H2,1H3,(H,23,27)
InChIKeyGIDRFOMXIASMDE-UHFFFAOYSA-N
MW414.85 g/mol
LogP1.68
Rot. Bonds7

About 6-(4-chlorophenyl)-N-(1-hydroxy-3-methoxypropan-2-yl)-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide

6-(4-chlorophenyl)-N-(1-hydroxy-3-methoxypropan-2-yl)-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide (PubChem CID 142411146) has the molecular formula C20H19ClN4O4 and a molecular weight of 414.85 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-N-(1-hydroxy-3-methoxypropan-2-yl)-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide.

Molecular Properties

Compound Name6-(4-chlorophenyl)-N-(1-hydroxy-3-methoxypropan-2-yl)-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide
PubChem CID142411146
Molecular FormulaC20H19ClN4O4
Molecular Weight414.85 g/mol
Exact Mass414.11
IUPAC Name6-(4-chlorophenyl)-N-(1-hydroxy-3-methoxypropan-2-yl)-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide
SMILESCOCC(CO)NC(=O)c1cc(-c2ccc(Cl)cc2)nn(-c2cccnc2)c1=O
InChIInChI=1S/C20H19ClN4O4/c1-29-12-15(11-26)23-19(27)17-9-18(13-4-6-14(21)7-5-13)24-25(20(17)28)16-3-2-8-22-10-16/h2-10,15,26H,11-12H2,1H3,(H,23,27)
InChIKeyGIDRFOMXIASMDE-UHFFFAOYSA-N
XLogP1.68
TPSA106.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.85
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

Bay 2416964
CID 135303769
3-[3-(4-chlorophenyl)-6-oxopyridazin-1(6H)-yl]-N-(pyridin-2-ylmethyl)propanamide
CID 3238049
3-[3-(4-chlorophenyl)-6-oxopyridazin-1(6H)-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 3611294
6-(4-chlorophenyl)-2-(3-fluorophenyl)-N-(1-hydroxy-3-pyridin-3-ylpropan-2-yl)-3-oxopyridazine-4-carboxamide
CID 132167732
6-(4-chlorophenyl)-2-(3-fluorophenyl)-N-(1-hydroxy-3-pyridin-2-ylpropan-2-yl)-3-oxopyridazine-4-carboxamide
CID 132167918
6-(4-chlorophenyl)-2-(3-fluorophenyl)-N-(1-hydroxy-3-pyridin-4-ylpropan-2-yl)-3-oxopyridazine-4-carboxamide
CID 132168098
6-(4-chlorophenyl)-N-[(2R)-2,3-dihydroxypropyl]-2-(5-fluoro-3-pyridinyl)-3-oxopyridazine-4-carboxamide
CID 135303729
6-(4-chlorophenyl)-N-(2,3-dihydroxypropyl)-2-(5-fluoro-3-pyridinyl)-3-oxopyridazine-4-carboxamide
CID 135303730
6-(4-chlorophenyl)-2-(5-fluoropyridin-3-yl)-3-oxo-N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)pyridazine-4-carboxamide
CID 135303738
6-(4-chlorophenyl)-N-[(1S,2R)-3,3-difluoro-2-hydroxycyclohexyl]-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide
CID 135303739
6-(4-chlorophenyl)-N-[(1R,2S)-3,3-difluoro-2-hydroxycyclohexyl]-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide
CID 135303740
6-(4-chlorophenyl)-N-(3,3-difluoro-2-hydroxycyclohexyl)-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide
CID 135303741

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-N-(1-hydroxy-3-methoxypropan-2-yl)-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide?
The IUPAC name of 6-(4-chlorophenyl)-N-(1-hydroxy-3-methoxypropan-2-yl)-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide (CID 142411146) is 6-(4-chlorophenyl)-N-(1-hydroxy-3-methoxypropan-2-yl)-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide.
What is the SMILES notation for 6-(4-chlorophenyl)-N-(1-hydroxy-3-methoxypropan-2-yl)-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide?
The canonical SMILES for 6-(4-chlorophenyl)-N-(1-hydroxy-3-methoxypropan-2-yl)-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide is COCC(CO)NC(=O)c1cc(-c2ccc(Cl)cc2)nn(-c2cccnc2)c1=O.
What is the InChIKey of 6-(4-chlorophenyl)-N-(1-hydroxy-3-methoxypropan-2-yl)-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide?
The InChIKey is GIDRFOMXIASMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O4/c1-29-12-15(11-26)23-19(27)17-9-18(13-4-6-14(21)7-5-13)24-25(20(17)28)16-3-2-8-22-10-16/h2-10,15,26H,11-12H2,1H3,(H,23,27).
What are the key properties of 6-(4-chlorophenyl)-N-(1-hydroxy-3-methoxypropan-2-yl)-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide?
6-(4-chlorophenyl)-N-(1-hydroxy-3-methoxypropan-2-yl)-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide has a molecular weight of 414.85 g/mol, XLogP of 1.68, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-N-(1-hydroxy-3-methoxypropan-2-yl)-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide is sourced from PubChem (CID 142411146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).