4-[(1S,2S)-1-(dimethylamino)-2-[(6-methyl-5-oxopyrido[2,3-d]pyridazin-8-yl)amino]propyl]-N-methylbenzamide

C21H26N6O2 — CID 118928587

IUPAC4-[(1S,2S)-1-(dimethylamino)-2-[(6-methyl-5-oxopyrido[2,3-d]pyridazin-8-yl)amino]propyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc([C@@H]([C@H](C)Nc2nn(C)c(=O)c3cccnc23)N(C)C)cc1
InChIInChI=1S/C21H26N6O2/c1-13(18(26(3)4)14-8-10-15(11-9-14)20(28)22-2)24-19-17-16(7-6-12-23-17)21(29)27(5)25-19/h6-13,18H,1-5H3,(H,22,28)(H,24,25)/t13-,18+/m0/s1
InChIKeyXJCJNZRDKMGHEV-SCLBCKFNSA-N
MW394.48 g/mol
LogP1.79
Rot. Bonds6

About 4-[(1S,2S)-1-(dimethylamino)-2-[(6-methyl-5-oxopyrido[2,3-d]pyridazin-8-yl)amino]propyl]-N-methylbenzamide

4-[(1S,2S)-1-(dimethylamino)-2-[(6-methyl-5-oxopyrido[2,3-d]pyridazin-8-yl)amino]propyl]-N-methylbenzamide (PubChem CID 118928587) has the molecular formula C21H26N6O2 and a molecular weight of 394.48 g/mol. Its IUPAC name is 4-[(1S,2S)-1-(dimethylamino)-2-[(6-methyl-5-oxopyrido[2,3-d]pyridazin-8-yl)amino]propyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[(1S,2S)-1-(dimethylamino)-2-[(6-methyl-5-oxopyrido[2,3-d]pyridazin-8-yl)amino]propyl]-N-methylbenzamide
PubChem CID118928587
Molecular FormulaC21H26N6O2
Molecular Weight394.48 g/mol
Exact Mass394.21
IUPAC Name4-[(1S,2S)-1-(dimethylamino)-2-[(6-methyl-5-oxopyrido[2,3-d]pyridazin-8-yl)amino]propyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc([C@@H]([C@H](C)Nc2nn(C)c(=O)c3cccnc23)N(C)C)cc1
InChIInChI=1S/C21H26N6O2/c1-13(18(26(3)4)14-8-10-15(11-9-14)20(28)22-2)24-19-17-16(7-6-12-23-17)21(29)27(5)25-19/h6-13,18H,1-5H3,(H,22,28)(H,24,25)/t13-,18+/m0/s1
InChIKeyXJCJNZRDKMGHEV-SCLBCKFNSA-N
XLogP1.79
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[(1S,2S)-1-(dimethylamino)-2-[(6-methyl-5-oxopyrido[2,3-d]pyridazin-8-yl)amino]propyl]-N-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-Oxo-3,4-Dihydroquinazolin-2-Yl)-N-[(1r)-1-(Pyridin-2-Yl)ethyl]propanamide
CID 135566762
8-[[(Phenylmethyl)amino]methyl]-1~{h}-Pyrido[3,4-D]pyrimidin-4-One
CID 135567116
3-(2-Methyl-1-oxo-1,2-dihydroisoquinolin-4-YL)-1-[(pyridin-2-YL)methyl]urea
CID 20910140
3-(4-Oxo-3,4-Dihydroquinazolin-2-Yl)-N-[(1s)-1-(Pyridin-2-Yl)ethyl]propanamide
CID 135566761
3-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]-N-pyridin-3-ylpropanamide
CID 1980396
4-oxo-N-(pyridin-2-ylmethyl)-3H-phthalazine-1-carboxamide
CID 2114581
N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 4126174
6-Methyl-N-[2-(4-methyl-benzoylamino)-ethyl]-nicotinamide
CID 6498616
N-[2-(4-Fluoro-benzoylamino)-ethyl]-6-methyl-nicotinamide
CID 6498619
6-Methyl-N-[3-(3-methyl-benzoylamino)-propyl]-nicotinamide
CID 6498646
6-Methyl-N-[3-(4-methyl-benzoylamino)-propyl]-nicotinamide
CID 6498647
6-Methyl-N-(3-phenylacetylamino-propyl)-nicotinamide
CID 6498664

Frequently Asked Questions

What is the IUPAC name of 4-[(1S,2S)-1-(dimethylamino)-2-[(6-methyl-5-oxopyrido[2,3-d]pyridazin-8-yl)amino]propyl]-N-methylbenzamide?
The IUPAC name of 4-[(1S,2S)-1-(dimethylamino)-2-[(6-methyl-5-oxopyrido[2,3-d]pyridazin-8-yl)amino]propyl]-N-methylbenzamide (CID 118928587) is 4-[(1S,2S)-1-(dimethylamino)-2-[(6-methyl-5-oxopyrido[2,3-d]pyridazin-8-yl)amino]propyl]-N-methylbenzamide.
What is the SMILES notation for 4-[(1S,2S)-1-(dimethylamino)-2-[(6-methyl-5-oxopyrido[2,3-d]pyridazin-8-yl)amino]propyl]-N-methylbenzamide?
The canonical SMILES for 4-[(1S,2S)-1-(dimethylamino)-2-[(6-methyl-5-oxopyrido[2,3-d]pyridazin-8-yl)amino]propyl]-N-methylbenzamide is CNC(=O)c1ccc([C@@H]([C@H](C)Nc2nn(C)c(=O)c3cccnc23)N(C)C)cc1.
What is the InChIKey of 4-[(1S,2S)-1-(dimethylamino)-2-[(6-methyl-5-oxopyrido[2,3-d]pyridazin-8-yl)amino]propyl]-N-methylbenzamide?
The InChIKey is XJCJNZRDKMGHEV-SCLBCKFNSA-N. The full InChI is InChI=1S/C21H26N6O2/c1-13(18(26(3)4)14-8-10-15(11-9-14)20(28)22-2)24-19-17-16(7-6-12-23-17)21(29)27(5)25-19/h6-13,18H,1-5H3,(H,22,28)(H,24,25)/t13-,18+/m0/s1.
What are the key properties of 4-[(1S,2S)-1-(dimethylamino)-2-[(6-methyl-5-oxopyrido[2,3-d]pyridazin-8-yl)amino]propyl]-N-methylbenzamide?
4-[(1S,2S)-1-(dimethylamino)-2-[(6-methyl-5-oxopyrido[2,3-d]pyridazin-8-yl)amino]propyl]-N-methylbenzamide has a molecular weight of 394.48 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S,2S)-1-(dimethylamino)-2-[(6-methyl-5-oxopyrido[2,3-d]pyridazin-8-yl)amino]propyl]-N-methylbenzamide is sourced from PubChem (CID 118928587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).