6-(4-chlorophenyl)-N-(2-hydroxy-2-methylpropyl)-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide

C20H19ClN4O3 — CID 135304049

IUPAC6-(4-chlorophenyl)-N-(2-hydroxy-2-methylpropyl)-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide
SMILESCC(C)(O)CNC(=O)c1cc(-c2ccc(Cl)cc2)nn(-c2cccnc2)c1=O
InChIInChI=1S/C20H19ClN4O3/c1-20(2,28)12-23-18(26)16-10-17(13-5-7-14(21)8-6-13)24-25(19(16)27)15-4-3-9-22-11-15/h3-11,28H,12H2,1-2H3,(H,23,26)
InChIKeyNSPMVUYYHFVPEQ-UHFFFAOYSA-N
MW398.85 g/mol
LogP2.45
Rot. Bonds5

About 6-(4-chlorophenyl)-N-(2-hydroxy-2-methylpropyl)-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide

6-(4-chlorophenyl)-N-(2-hydroxy-2-methylpropyl)-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide (PubChem CID 135304049) has the molecular formula C20H19ClN4O3 and a molecular weight of 398.85 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-N-(2-hydroxy-2-methylpropyl)-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide.

Molecular Properties

Compound Name6-(4-chlorophenyl)-N-(2-hydroxy-2-methylpropyl)-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide
PubChem CID135304049
Molecular FormulaC20H19ClN4O3
Molecular Weight398.85 g/mol
Exact Mass398.11
IUPAC Name6-(4-chlorophenyl)-N-(2-hydroxy-2-methylpropyl)-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide
SMILESCC(C)(O)CNC(=O)c1cc(-c2ccc(Cl)cc2)nn(-c2cccnc2)c1=O
InChIInChI=1S/C20H19ClN4O3/c1-20(2,28)12-23-18(26)16-10-17(13-5-7-14(21)8-6-13)24-25(19(16)27)15-4-3-9-22-11-15/h3-11,28H,12H2,1-2H3,(H,23,26)
InChIKeyNSPMVUYYHFVPEQ-UHFFFAOYSA-N
XLogP2.45
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.85
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(4-chlorophenyl)-2-(5-fluoro-3-pyridinyl)-N-(2-hydroxy-2-methylpropyl)-3-oxopyridazine-4-carboxamide
CID 135303923
6-(4-chlorophenyl)-3-oxo-2-pyridin-3-yl-N-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]pyridazine-4-carboxamide
CID 151372170
6-(4-chlorophenyl)-3-oxo-2-pyridin-3-yl-N-(1,1,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)pyridazine-4-carboxamide
CID 175413314
methyl 6-(4-chlorophenyl)-3-oxo-2-pyridin-3-ylpyridazine-4-carboxylate
CID 135303887
N-(2-hydroxyethyl)-6-(4-methylphenyl)-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide
CID 142410996
6-(4-chlorophenyl)-N-(1-hydroxy-3-methoxypropan-2-yl)-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide
CID 142411146
6-(4-chlorophenyl)-N-[(1S)-1-cyclopropyl-2-hydroxyethyl]-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide
CID 135303776
6-(4-chlorophenyl)-N-[(2S)-1-hydroxy-3-iminopropan-2-yl]-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide
CID 156513223
6-(4-chlorophenyl)-N-[(1R,2S)-2-hydroxycyclopentyl]-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide
CID 135303968
3-oxo-2-pyridin-3-yl-N-(1,1,1-trifluoro-3-hydroxy-3-methylbutan-2-yl)-6-[4-(trifluoromethyl)phenyl]pyridazine-4-carboxamide
CID 135303973
3-oxo-2-pyridin-3-yl-N-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-6-[4-(trifluoromethyl)phenyl]pyridazine-4-carboxamide
CID 142411020
5-(5-chloro-2-pyridinyl)-N-(2-hydroxy-2-methylpropyl)-1-pyridin-3-ylpyrazole-3-carboxamide
CID 69477331

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-N-(2-hydroxy-2-methylpropyl)-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide?
The IUPAC name of 6-(4-chlorophenyl)-N-(2-hydroxy-2-methylpropyl)-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide (CID 135304049) is 6-(4-chlorophenyl)-N-(2-hydroxy-2-methylpropyl)-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide.
What is the SMILES notation for 6-(4-chlorophenyl)-N-(2-hydroxy-2-methylpropyl)-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide?
The canonical SMILES for 6-(4-chlorophenyl)-N-(2-hydroxy-2-methylpropyl)-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide is CC(C)(O)CNC(=O)c1cc(-c2ccc(Cl)cc2)nn(-c2cccnc2)c1=O.
What is the InChIKey of 6-(4-chlorophenyl)-N-(2-hydroxy-2-methylpropyl)-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide?
The InChIKey is NSPMVUYYHFVPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O3/c1-20(2,28)12-23-18(26)16-10-17(13-5-7-14(21)8-6-13)24-25(19(16)27)15-4-3-9-22-11-15/h3-11,28H,12H2,1-2H3,(H,23,26).
What are the key properties of 6-(4-chlorophenyl)-N-(2-hydroxy-2-methylpropyl)-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide?
6-(4-chlorophenyl)-N-(2-hydroxy-2-methylpropyl)-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide has a molecular weight of 398.85 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-N-(2-hydroxy-2-methylpropyl)-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide is sourced from PubChem (CID 135304049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).