2-[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]-N-(2,6-dimethylphenyl)acetamide

C20H19ClN4O2 — CID 9195713

IUPAC2-[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]-N-(2,6-dimethylphenyl)acetamide
SMILESCc1cccc(C)c1NC(=O)CNc1cnn(-c2ccccc2)c(=O)c1Cl
InChIInChI=1S/C20H19ClN4O2/c1-13-7-6-8-14(2)19(13)24-17(26)12-22-16-11-23-25(20(27)18(16)21)15-9-4-3-5-10-15/h3-11,22H,12H2,1-2H3,(H,24,26)
InChIKeyPEHFLGZOEKDIMU-UHFFFAOYSA-N
MW382.85 g/mol
LogP3.55
Rot. Bonds5

About 2-[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]-N-(2,6-dimethylphenyl)acetamide

2-[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]-N-(2,6-dimethylphenyl)acetamide (PubChem CID 9195713) has the molecular formula C20H19ClN4O2 and a molecular weight of 382.85 g/mol. Its IUPAC name is 2-[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]-N-(2,6-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]-N-(2,6-dimethylphenyl)acetamide
PubChem CID9195713
Molecular FormulaC20H19ClN4O2
Molecular Weight382.85 g/mol
Exact Mass382.12
IUPAC Name2-[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]-N-(2,6-dimethylphenyl)acetamide
SMILESCc1cccc(C)c1NC(=O)CNc1cnn(-c2ccccc2)c(=O)c1Cl
InChIInChI=1S/C20H19ClN4O2/c1-13-7-6-8-14(2)19(13)24-17(26)12-22-16-11-23-25(20(27)18(16)21)15-9-4-3-5-10-15/h3-11,22H,12H2,1-2H3,(H,24,26)
InChIKeyPEHFLGZOEKDIMU-UHFFFAOYSA-N
XLogP3.55
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]acetamide
CID 8567196
ethyl 2-[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]acetate
CID 15152626
1-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)-3-(2-methylphenyl)sulfonylurea
CID 13489961
4-chloro-5-[[2-(2-chlorophenyl)-2-hydroxypropyl]amino]-2-phenylpyridazin-3-one
CID 133472201
4-chloro-5-[(4-hydroxy-2,2-dimethylbutyl)amino]-2-phenylpyridazin-3-one
CID 133332334
4-chloro-5-(2-methylhydrazinyl)-2-phenylpyridazin-3-one
CID 24998005
4-chloro-5-[[(2S)-1-hydroxybutan-2-yl]amino]-2-phenylpyridazin-3-one
CID 133434585
4-[[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]methyl]oxane-4-carboxamide
CID 133430645
2-[[5-chloro-1-(3-chloro-4-methylphenyl)-6-oxopyridazin-4-yl]amino]-N-(cyclopropylmethyl)acetamide
CID 133441864
4-chloro-5-[2-(2-fluorophenyl)ethylamino]-2-phenylpyridazin-3-one
CID 9172583
4-chloro-2-phenyl-5-[(2Z)-2-propylidenehydrazinyl]pyridazin-3-one
CID 6054872
N-[3-oxo-2-phenyl-5-(propylamino)pyridazin-4-yl]acetamide
CID 70317540

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]-N-(2,6-dimethylphenyl)acetamide?
The IUPAC name of 2-[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]-N-(2,6-dimethylphenyl)acetamide (CID 9195713) is 2-[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]-N-(2,6-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]-N-(2,6-dimethylphenyl)acetamide?
The canonical SMILES for 2-[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]-N-(2,6-dimethylphenyl)acetamide is Cc1cccc(C)c1NC(=O)CNc1cnn(-c2ccccc2)c(=O)c1Cl.
What is the InChIKey of 2-[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]-N-(2,6-dimethylphenyl)acetamide?
The InChIKey is PEHFLGZOEKDIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O2/c1-13-7-6-8-14(2)19(13)24-17(26)12-22-16-11-23-25(20(27)18(16)21)15-9-4-3-5-10-15/h3-11,22H,12H2,1-2H3,(H,24,26).
What are the key properties of 2-[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]-N-(2,6-dimethylphenyl)acetamide?
2-[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]-N-(2,6-dimethylphenyl)acetamide has a molecular weight of 382.85 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]-N-(2,6-dimethylphenyl)acetamide is sourced from PubChem (CID 9195713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).