N-[6-[benzyl(propan-2-yl)amino]pyridazin-3-yl]-2,2-dimethylpropanamide

C19H26N4O — CID 113044456

IUPACN-[6-[benzyl(propan-2-yl)amino]pyridazin-3-yl]-2,2-dimethylpropanamide
SMILESCC(C)N(Cc1ccccc1)c1ccc(NC(=O)C(C)(C)C)nn1
InChIInChI=1S/C19H26N4O/c1-14(2)23(13-15-9-7-6-8-10-15)17-12-11-16(21-22-17)20-18(24)19(3,4)5/h6-12,14H,13H2,1-5H3,(H,20,21,24)
InChIKeyIBGYLVGACCIBEQ-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.88
Rot. Bonds5

About N-[6-[benzyl(propan-2-yl)amino]pyridazin-3-yl]-2,2-dimethylpropanamide

N-[6-[benzyl(propan-2-yl)amino]pyridazin-3-yl]-2,2-dimethylpropanamide (PubChem CID 113044456) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is N-[6-[benzyl(propan-2-yl)amino]pyridazin-3-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[6-[benzyl(propan-2-yl)amino]pyridazin-3-yl]-2,2-dimethylpropanamide
PubChem CID113044456
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC NameN-[6-[benzyl(propan-2-yl)amino]pyridazin-3-yl]-2,2-dimethylpropanamide
SMILESCC(C)N(Cc1ccccc1)c1ccc(NC(=O)C(C)(C)C)nn1
InChIInChI=1S/C19H26N4O/c1-14(2)23(13-15-9-7-6-8-10-15)17-12-11-16(21-22-17)20-18(24)19(3,4)5/h6-12,14H,13H2,1-5H3,(H,20,21,24)
InChIKeyIBGYLVGACCIBEQ-UHFFFAOYSA-N
XLogP3.88
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-[benzyl(propan-2-yl)amino]pyridazin-3-yl]butanamide
CID 113044450
N-[6-[benzyl(propan-2-yl)amino]pyridazin-3-yl]-4-fluorobenzamide
CID 113044463
1-[6-[benzyl(propan-2-yl)amino]pyridazin-3-yl]-3-cyclohexylurea
CID 113044481
N-benzyl-6-[benzyl(propan-2-yl)amino]pyridazine-3-carboxamide
CID 109117885
N-[6-[benzyl(propan-2-yl)amino]-3-pyridinyl]acetamide
CID 113014989
N-benzyl-6-(chloromethyl)-N-propan-2-ylpyridazin-3-amine
CID 61255095
N-[6-[benzyl(propan-2-yl)amino]-3-pyridinyl]-2-phenylacetamide
CID 113015015
N-[6-[benzyl(propan-2-yl)amino]-3-pyridinyl]-2-methylpropanamide
CID 113014992
2,2-dimethyl-N-[6-(3-methylbutylamino)pyridazin-3-yl]propanamide
CID 113044508
N-[6-[benzyl(methyl)amino]pyridazin-3-yl]-4-methylbenzamide
CID 113041264
6-[benzyl(propan-2-yl)amino]-N-(2-methoxyphenyl)pyridine-3-carboxamide
CID 109161100
ethyl N-[6-[benzyl(methyl)amino]pyridazin-3-yl]carbamate
CID 113041308

Frequently Asked Questions

What is the IUPAC name of N-[6-[benzyl(propan-2-yl)amino]pyridazin-3-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[6-[benzyl(propan-2-yl)amino]pyridazin-3-yl]-2,2-dimethylpropanamide (CID 113044456) is N-[6-[benzyl(propan-2-yl)amino]pyridazin-3-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[6-[benzyl(propan-2-yl)amino]pyridazin-3-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[6-[benzyl(propan-2-yl)amino]pyridazin-3-yl]-2,2-dimethylpropanamide is CC(C)N(Cc1ccccc1)c1ccc(NC(=O)C(C)(C)C)nn1.
What is the InChIKey of N-[6-[benzyl(propan-2-yl)amino]pyridazin-3-yl]-2,2-dimethylpropanamide?
The InChIKey is IBGYLVGACCIBEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-14(2)23(13-15-9-7-6-8-10-15)17-12-11-16(21-22-17)20-18(24)19(3,4)5/h6-12,14H,13H2,1-5H3,(H,20,21,24).
What are the key properties of N-[6-[benzyl(propan-2-yl)amino]pyridazin-3-yl]-2,2-dimethylpropanamide?
N-[6-[benzyl(propan-2-yl)amino]pyridazin-3-yl]-2,2-dimethylpropanamide has a molecular weight of 326.44 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[benzyl(propan-2-yl)amino]pyridazin-3-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 113044456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).