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

C18H24N4O — CID 113044450

IUPACN-[6-[benzyl(propan-2-yl)amino]pyridazin-3-yl]butanamide
SMILESCCCC(=O)Nc1ccc(N(Cc2ccccc2)C(C)C)nn1
InChIInChI=1S/C18H24N4O/c1-4-8-18(23)19-16-11-12-17(21-20-16)22(14(2)3)13-15-9-6-5-7-10-15/h5-7,9-12,14H,4,8,13H2,1-3H3,(H,19,20,23)
InChIKeyYDNUBCJDULVABP-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.63
Rot. Bonds7

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

N-[6-[benzyl(propan-2-yl)amino]pyridazin-3-yl]butanamide (PubChem CID 113044450) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is N-[6-[benzyl(propan-2-yl)amino]pyridazin-3-yl]butanamide.

Molecular Properties

Compound NameN-[6-[benzyl(propan-2-yl)amino]pyridazin-3-yl]butanamide
PubChem CID113044450
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC NameN-[6-[benzyl(propan-2-yl)amino]pyridazin-3-yl]butanamide
SMILESCCCC(=O)Nc1ccc(N(Cc2ccccc2)C(C)C)nn1
InChIInChI=1S/C18H24N4O/c1-4-8-18(23)19-16-11-12-17(21-20-16)22(14(2)3)13-15-9-6-5-7-10-15/h5-7,9-12,14H,4,8,13H2,1-3H3,(H,19,20,23)
InChIKeyYDNUBCJDULVABP-UHFFFAOYSA-N
XLogP3.63
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[6-[benzyl(propan-2-yl)amino]pyridazin-3-yl]butanamide 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

N-[6-[benzyl(propan-2-yl)amino]pyridazin-3-yl]-2,2-dimethylpropanamide
CID 113044456
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]-2-phenylacetamide
CID 113015015
N-[6-[benzyl(propan-2-yl)amino]-3-pyridinyl]acetamide
CID 113014989
N-benzyl-6-(chloromethyl)-N-propan-2-ylpyridazin-3-amine
CID 61255095
ethyl N-[6-[benzyl(methyl)amino]pyridazin-3-yl]carbamate
CID 113041308
N-[6-[benzyl(propan-2-yl)amino]-3-pyridinyl]-2-methylpropanamide
CID 113014992
N-[6-[benzyl(methyl)amino]pyridazin-3-yl]-4-methylbenzamide
CID 113041264
N-[6-[benzyl(ethyl)amino]pyridazin-3-yl]-2-chlorobenzamide
CID 113041914
N-[6-(1-phenylethylamino)pyridazin-3-yl]pentanamide
CID 113041159

Frequently Asked Questions

What is the IUPAC name of N-[6-[benzyl(propan-2-yl)amino]pyridazin-3-yl]butanamide?
The IUPAC name of N-[6-[benzyl(propan-2-yl)amino]pyridazin-3-yl]butanamide (CID 113044450) is N-[6-[benzyl(propan-2-yl)amino]pyridazin-3-yl]butanamide.
What is the SMILES notation for N-[6-[benzyl(propan-2-yl)amino]pyridazin-3-yl]butanamide?
The canonical SMILES for N-[6-[benzyl(propan-2-yl)amino]pyridazin-3-yl]butanamide is CCCC(=O)Nc1ccc(N(Cc2ccccc2)C(C)C)nn1.
What is the InChIKey of N-[6-[benzyl(propan-2-yl)amino]pyridazin-3-yl]butanamide?
The InChIKey is YDNUBCJDULVABP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-4-8-18(23)19-16-11-12-17(21-20-16)22(14(2)3)13-15-9-6-5-7-10-15/h5-7,9-12,14H,4,8,13H2,1-3H3,(H,19,20,23).
What are the key properties of N-[6-[benzyl(propan-2-yl)amino]pyridazin-3-yl]butanamide?
N-[6-[benzyl(propan-2-yl)amino]pyridazin-3-yl]butanamide has a molecular weight of 312.42 g/mol, XLogP of 3.63, 7 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]butanamide is sourced from PubChem (CID 113044450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).