2-[(1-benzyl-5-chloro-6-oxopyridazin-4-yl)amino]-N-phenylpropanamide

C20H19ClN4O2 — CID 133310951

IUPAC2-[(1-benzyl-5-chloro-6-oxopyridazin-4-yl)amino]-N-phenylpropanamide
SMILESCC(Nc1cnn(Cc2ccccc2)c(=O)c1Cl)C(=O)Nc1ccccc1
InChIInChI=1S/C20H19ClN4O2/c1-14(19(26)24-16-10-6-3-7-11-16)23-17-12-22-25(20(27)18(17)21)13-15-8-4-2-5-9-15/h2-12,14,23H,13H2,1H3,(H,24,26)
InChIKeyZEPCCANGWFARAC-UHFFFAOYSA-N
MW382.85 g/mol
LogP3.38
Rot. Bonds6

About 2-[(1-benzyl-5-chloro-6-oxopyridazin-4-yl)amino]-N-phenylpropanamide

2-[(1-benzyl-5-chloro-6-oxopyridazin-4-yl)amino]-N-phenylpropanamide (PubChem CID 133310951) has the molecular formula C20H19ClN4O2 and a molecular weight of 382.85 g/mol. Its IUPAC name is 2-[(1-benzyl-5-chloro-6-oxopyridazin-4-yl)amino]-N-phenylpropanamide.

Molecular Properties

Compound Name2-[(1-benzyl-5-chloro-6-oxopyridazin-4-yl)amino]-N-phenylpropanamide
PubChem CID133310951
Molecular FormulaC20H19ClN4O2
Molecular Weight382.85 g/mol
Exact Mass382.12
IUPAC Name2-[(1-benzyl-5-chloro-6-oxopyridazin-4-yl)amino]-N-phenylpropanamide
SMILESCC(Nc1cnn(Cc2ccccc2)c(=O)c1Cl)C(=O)Nc1ccccc1
InChIInChI=1S/C20H19ClN4O2/c1-14(19(26)24-16-10-6-3-7-11-16)23-17-12-22-25(20(27)18(17)21)13-15-8-4-2-5-9-15/h2-12,14,23H,13H2,1H3,(H,24,26)
InChIKeyZEPCCANGWFARAC-UHFFFAOYSA-N
XLogP3.38
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-benzyl-4-chloro-5-(3-methylbutan-2-ylamino)pyridazin-3-one
CID 55346837
2-benzyl-4-chloro-5-(1-cyclobutylethylamino)pyridazin-3-one
CID 133417909
methyl N-[4-[[(1-benzyl-5-chloro-6-oxopyridazin-4-yl)amino]methyl]phenyl]carbamate
CID 60504808
2-[(5-chloro-6-oxo-1-propylpyridazin-4-yl)amino]-N-propan-2-ylpropanamide
CID 114441510
2-(2-chloroanilino)-N-phenylpropanamide
CID 43083833
2-benzyl-4-chloro-5-[[3-(hydroxymethyl)oxetan-3-yl]methylamino]pyridazin-3-one
CID 133399133
2-[(5-chloro-1-ethyl-6-oxopyridazin-4-yl)amino]propanamide
CID 114433471
4-chloro-2-(2-methylpropyl)-5-(2-phenylethylamino)pyridazin-3-one
CID 114432372
methyl 2-[5-chloro-4-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-6-oxopyridazin-1-yl]acetate
CID 114435611
2-[[5-chloro-1-(2-methylpropyl)-6-oxopyridazin-4-yl]amino]-N,N-dimethylpropanamide
CID 114435408
2-benzyl-4-chloro-5-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]pyridazin-3-one
CID 133496774
2-benzyl-4-chloro-5-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]pyridazin-3-one
CID 133375920

Frequently Asked Questions

What is the IUPAC name of 2-[(1-benzyl-5-chloro-6-oxopyridazin-4-yl)amino]-N-phenylpropanamide?
The IUPAC name of 2-[(1-benzyl-5-chloro-6-oxopyridazin-4-yl)amino]-N-phenylpropanamide (CID 133310951) is 2-[(1-benzyl-5-chloro-6-oxopyridazin-4-yl)amino]-N-phenylpropanamide.
What is the SMILES notation for 2-[(1-benzyl-5-chloro-6-oxopyridazin-4-yl)amino]-N-phenylpropanamide?
The canonical SMILES for 2-[(1-benzyl-5-chloro-6-oxopyridazin-4-yl)amino]-N-phenylpropanamide is CC(Nc1cnn(Cc2ccccc2)c(=O)c1Cl)C(=O)Nc1ccccc1.
What is the InChIKey of 2-[(1-benzyl-5-chloro-6-oxopyridazin-4-yl)amino]-N-phenylpropanamide?
The InChIKey is ZEPCCANGWFARAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O2/c1-14(19(26)24-16-10-6-3-7-11-16)23-17-12-22-25(20(27)18(17)21)13-15-8-4-2-5-9-15/h2-12,14,23H,13H2,1H3,(H,24,26).
What are the key properties of 2-[(1-benzyl-5-chloro-6-oxopyridazin-4-yl)amino]-N-phenylpropanamide?
2-[(1-benzyl-5-chloro-6-oxopyridazin-4-yl)amino]-N-phenylpropanamide has a molecular weight of 382.85 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-benzyl-5-chloro-6-oxopyridazin-4-yl)amino]-N-phenylpropanamide is sourced from PubChem (CID 133310951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).