(2R)-N-(2-chloro-6-methylphenyl)-2-[3-[4-methyl-3-(propanoylamino)phenyl]-6-oxopyridazin-1-yl]propanamide

C24H25ClN4O3 — CID 27261745

IUPAC(2R)-N-(2-chloro-6-methylphenyl)-2-[3-[4-methyl-3-(propanoylamino)phenyl]-6-oxopyridazin-1-yl]propanamide
SMILESCCC(=O)Nc1cc(-c2ccc(=O)n([C@H](C)C(=O)Nc3c(C)cccc3Cl)n2)ccc1C
InChIInChI=1S/C24H25ClN4O3/c1-5-21(30)26-20-13-17(10-9-14(20)2)19-11-12-22(31)29(28-19)16(4)24(32)27-23-15(3)7-6-8-18(23)25/h6-13,16H,5H2,1-4H3,(H,26,30)(H,27,32)/t16-/m1/s1
InChIKeyYAWACWYXHKSBFT-MRXNPFEDSA-N
MW452.94 g/mol
LogP4.73
Rot. Bonds6

About (2R)-N-(2-chloro-6-methylphenyl)-2-[3-[4-methyl-3-(propanoylamino)phenyl]-6-oxopyridazin-1-yl]propanamide

(2R)-N-(2-chloro-6-methylphenyl)-2-[3-[4-methyl-3-(propanoylamino)phenyl]-6-oxopyridazin-1-yl]propanamide (PubChem CID 27261745) has the molecular formula C24H25ClN4O3 and a molecular weight of 452.94 g/mol. Its IUPAC name is (2R)-N-(2-chloro-6-methylphenyl)-2-[3-[4-methyl-3-(propanoylamino)phenyl]-6-oxopyridazin-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-(2-chloro-6-methylphenyl)-2-[3-[4-methyl-3-(propanoylamino)phenyl]-6-oxopyridazin-1-yl]propanamide
PubChem CID27261745
Molecular FormulaC24H25ClN4O3
Molecular Weight452.94 g/mol
Exact Mass452.16
IUPAC Name(2R)-N-(2-chloro-6-methylphenyl)-2-[3-[4-methyl-3-(propanoylamino)phenyl]-6-oxopyridazin-1-yl]propanamide
SMILESCCC(=O)Nc1cc(-c2ccc(=O)n([C@H](C)C(=O)Nc3c(C)cccc3Cl)n2)ccc1C
InChIInChI=1S/C24H25ClN4O3/c1-5-21(30)26-20-13-17(10-9-14(20)2)19-11-12-22(31)29(28-19)16(4)24(32)27-23-15(3)7-6-8-18(23)25/h6-13,16H,5H2,1-4H3,(H,26,30)(H,27,32)/t16-/m1/s1
InChIKeyYAWACWYXHKSBFT-MRXNPFEDSA-N
XLogP4.73
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.94
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[1-[2-(2-chloro-6-methylanilino)-2-oxoethyl]-6-oxopyridazin-3-yl]-2-methylphenyl]propanamide
CID 27261976
(2R)-N-(4-methylphenyl)-2-[3-[4-methyl-3-(propanoylamino)phenyl]-6-oxopyridazin-1-yl]propanamide
CID 27262351
N-(2,6-dimethylphenyl)-2-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]propanamide
CID 50744778
N-(3-chloro-2-methylphenyl)-2-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]propanamide
CID 50744781
N-(2,6-dimethylphenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propanamide
CID 25249782
(2S)-2-[3-(3-acetamido-4-methylphenyl)-6-oxopyridazin-1-yl]-N-(2-fluorophenyl)propanamide
CID 27245360
(2R)-2-[3-(3-acetamido-4-methylphenyl)-6-oxopyridazin-1-yl]-N-(3-chloro-4-methoxyphenyl)propanamide
CID 27243865
(2S)-N-(2-methylphenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propanamide
CID 92735308
(2S)-2-[3-(4-chlorophenyl)-6-oxo-5-(propanoylamino)pyridazin-1-yl]-N-(2,3-dimethylphenyl)propanamide
CID 94086831
N-[5-[1-[(2R)-1-(4-fluoro-2-methylanilino)-1-oxopropan-2-yl]-6-oxopyridazin-3-yl]-2-methylphenyl]-2-methylpropanamide
CID 27260776
N-(2,5-dimethylphenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide
CID 121101160
(2S)-2-[3-(3-acetamido-4-methylphenyl)-6-oxopyridazin-1-yl]-N-(2,5-difluorophenyl)propanamide
CID 27244507

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-chloro-6-methylphenyl)-2-[3-[4-methyl-3-(propanoylamino)phenyl]-6-oxopyridazin-1-yl]propanamide?
The IUPAC name of (2R)-N-(2-chloro-6-methylphenyl)-2-[3-[4-methyl-3-(propanoylamino)phenyl]-6-oxopyridazin-1-yl]propanamide (CID 27261745) is (2R)-N-(2-chloro-6-methylphenyl)-2-[3-[4-methyl-3-(propanoylamino)phenyl]-6-oxopyridazin-1-yl]propanamide.
What is the SMILES notation for (2R)-N-(2-chloro-6-methylphenyl)-2-[3-[4-methyl-3-(propanoylamino)phenyl]-6-oxopyridazin-1-yl]propanamide?
The canonical SMILES for (2R)-N-(2-chloro-6-methylphenyl)-2-[3-[4-methyl-3-(propanoylamino)phenyl]-6-oxopyridazin-1-yl]propanamide is CCC(=O)Nc1cc(-c2ccc(=O)n([C@H](C)C(=O)Nc3c(C)cccc3Cl)n2)ccc1C.
What is the InChIKey of (2R)-N-(2-chloro-6-methylphenyl)-2-[3-[4-methyl-3-(propanoylamino)phenyl]-6-oxopyridazin-1-yl]propanamide?
The InChIKey is YAWACWYXHKSBFT-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H25ClN4O3/c1-5-21(30)26-20-13-17(10-9-14(20)2)19-11-12-22(31)29(28-19)16(4)24(32)27-23-15(3)7-6-8-18(23)25/h6-13,16H,5H2,1-4H3,(H,26,30)(H,27,32)/t16-/m1/s1.
What are the key properties of (2R)-N-(2-chloro-6-methylphenyl)-2-[3-[4-methyl-3-(propanoylamino)phenyl]-6-oxopyridazin-1-yl]propanamide?
(2R)-N-(2-chloro-6-methylphenyl)-2-[3-[4-methyl-3-(propanoylamino)phenyl]-6-oxopyridazin-1-yl]propanamide has a molecular weight of 452.94 g/mol, XLogP of 4.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-chloro-6-methylphenyl)-2-[3-[4-methyl-3-(propanoylamino)phenyl]-6-oxopyridazin-1-yl]propanamide is sourced from PubChem (CID 27261745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).