N-[[5-chloro-2-(methylaminomethyl)phenyl]methyl]-2-[5-methyl-3-oxo-2-(2-pyrazol-1-ylethyl)pyridazin-4-yl]acetamide

C21H25ClN6O2 — CID 142690440

IUPACN-[[5-chloro-2-(methylaminomethyl)phenyl]methyl]-2-[5-methyl-3-oxo-2-(2-pyrazol-1-ylethyl)pyridazin-4-yl]acetamide
SMILESCNCc1ccc(Cl)cc1CNC(=O)Cc1c(C)cnn(CCn2cccn2)c1=O
InChIInChI=1S/C21H25ClN6O2/c1-15-12-26-28(9-8-27-7-3-6-25-27)21(30)19(15)11-20(29)24-14-17-10-18(22)5-4-16(17)13-23-2/h3-7,10,12,23H,8-9,11,13-14H2,1-2H3,(H,24,29)
InChIKeyNSQRHHUSCMSQEA-UHFFFAOYSA-N
MW428.92 g/mol
LogP1.68
Rot. Bonds9

About N-[[5-chloro-2-(methylaminomethyl)phenyl]methyl]-2-[5-methyl-3-oxo-2-(2-pyrazol-1-ylethyl)pyridazin-4-yl]acetamide

N-[[5-chloro-2-(methylaminomethyl)phenyl]methyl]-2-[5-methyl-3-oxo-2-(2-pyrazol-1-ylethyl)pyridazin-4-yl]acetamide (PubChem CID 142690440) has the molecular formula C21H25ClN6O2 and a molecular weight of 428.92 g/mol. Its IUPAC name is N-[[5-chloro-2-(methylaminomethyl)phenyl]methyl]-2-[5-methyl-3-oxo-2-(2-pyrazol-1-ylethyl)pyridazin-4-yl]acetamide.

Molecular Properties

Compound NameN-[[5-chloro-2-(methylaminomethyl)phenyl]methyl]-2-[5-methyl-3-oxo-2-(2-pyrazol-1-ylethyl)pyridazin-4-yl]acetamide
PubChem CID142690440
Molecular FormulaC21H25ClN6O2
Molecular Weight428.92 g/mol
Exact Mass428.17
IUPAC NameN-[[5-chloro-2-(methylaminomethyl)phenyl]methyl]-2-[5-methyl-3-oxo-2-(2-pyrazol-1-ylethyl)pyridazin-4-yl]acetamide
SMILESCNCc1ccc(Cl)cc1CNC(=O)Cc1c(C)cnn(CCn2cccn2)c1=O
InChIInChI=1S/C21H25ClN6O2/c1-15-12-26-28(9-8-27-7-3-6-25-27)21(30)19(15)11-20(29)24-14-17-10-18(22)5-4-16(17)13-23-2/h3-7,10,12,23H,8-9,11,13-14H2,1-2H3,(H,24,29)
InChIKeyNSQRHHUSCMSQEA-UHFFFAOYSA-N
XLogP1.68
TPSA93.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.92
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[5-chloro-2-[2-(4-chloropyrazol-1-yl)ethyl]-3-oxopyridazin-4-yl]-N-[[5-chloro-2-(methylaminomethyl)phenyl]methyl]acetamide
CID 142690401
N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[4-methyl-2-oxo-1-(2-pyrazol-1-ylethyl)-3-pyridinyl]acetamide
CID 142690753
N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[5-methyl-3-oxo-2-(2-pyridin-2-ylethyl)pyridazin-4-yl]acetamide
CID 142690318
N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[2-[2-(4-chlorophenyl)ethyl]-5-methyl-3-oxopyridazin-4-yl]acetamide
CID 142690612
N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[5-methyl-2-(2-methylsulfonylethyl)-3-oxopyridazin-4-yl]acetamide
CID 142690378
N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[2-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethyl]-5-methyl-3-oxopyridazin-4-yl]acetamide
CID 142690576
N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[5-methyl-2-[2-(6-methylpyrazin-2-yl)ethyl]-3-oxopyridazin-4-yl]acetamide
CID 142690728
N-[[2-(1-aminoethylideneamino)-5-chlorophenyl]methyl]-2-[5-methyl-3-oxo-2-(2-phenylethyl)pyridazin-4-yl]acetamide
CID 142690587
N-[[5-chloro-2-(methylaminomethyl)phenyl]methyl]-2-[4-methyl-1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-oxo-3-pyridinyl]acetamide
CID 142690658
N-[2-[5-[2-[[2-(aminomethyl)-5-chlorophenyl]methylamino]-2-oxoethyl]-4-methyl-6-oxopyridazin-1-yl]ethyl]-N-phenylcyclopropanecarboxamide
CID 142690649
N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[4-methyl-1-[2-(4-methylpyrazol-1-yl)ethyl]-2-oxo-3-pyridinyl]acetamide
CID 142690349
N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[2-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethyl]-5-ethyl-3-oxopyridazin-4-yl]acetamide
CID 142690443

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-(methylaminomethyl)phenyl]methyl]-2-[5-methyl-3-oxo-2-(2-pyrazol-1-ylethyl)pyridazin-4-yl]acetamide?
The IUPAC name of N-[[5-chloro-2-(methylaminomethyl)phenyl]methyl]-2-[5-methyl-3-oxo-2-(2-pyrazol-1-ylethyl)pyridazin-4-yl]acetamide (CID 142690440) is N-[[5-chloro-2-(methylaminomethyl)phenyl]methyl]-2-[5-methyl-3-oxo-2-(2-pyrazol-1-ylethyl)pyridazin-4-yl]acetamide.
What is the SMILES notation for N-[[5-chloro-2-(methylaminomethyl)phenyl]methyl]-2-[5-methyl-3-oxo-2-(2-pyrazol-1-ylethyl)pyridazin-4-yl]acetamide?
The canonical SMILES for N-[[5-chloro-2-(methylaminomethyl)phenyl]methyl]-2-[5-methyl-3-oxo-2-(2-pyrazol-1-ylethyl)pyridazin-4-yl]acetamide is CNCc1ccc(Cl)cc1CNC(=O)Cc1c(C)cnn(CCn2cccn2)c1=O.
What is the InChIKey of N-[[5-chloro-2-(methylaminomethyl)phenyl]methyl]-2-[5-methyl-3-oxo-2-(2-pyrazol-1-ylethyl)pyridazin-4-yl]acetamide?
The InChIKey is NSQRHHUSCMSQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN6O2/c1-15-12-26-28(9-8-27-7-3-6-25-27)21(30)19(15)11-20(29)24-14-17-10-18(22)5-4-16(17)13-23-2/h3-7,10,12,23H,8-9,11,13-14H2,1-2H3,(H,24,29).
What are the key properties of N-[[5-chloro-2-(methylaminomethyl)phenyl]methyl]-2-[5-methyl-3-oxo-2-(2-pyrazol-1-ylethyl)pyridazin-4-yl]acetamide?
N-[[5-chloro-2-(methylaminomethyl)phenyl]methyl]-2-[5-methyl-3-oxo-2-(2-pyrazol-1-ylethyl)pyridazin-4-yl]acetamide has a molecular weight of 428.92 g/mol, XLogP of 1.68, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-(methylaminomethyl)phenyl]methyl]-2-[5-methyl-3-oxo-2-(2-pyrazol-1-ylethyl)pyridazin-4-yl]acetamide is sourced from PubChem (CID 142690440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).