N-[6-(butan-2-ylamino)pyridazin-3-yl]-3,5-dimethoxybenzamide

C17H22N4O3 — CID 113038583

IUPACN-[6-(butan-2-ylamino)pyridazin-3-yl]-3,5-dimethoxybenzamide
SMILESCCC(C)Nc1ccc(NC(=O)c2cc(OC)cc(OC)c2)nn1
InChIInChI=1S/C17H22N4O3/c1-5-11(2)18-15-6-7-16(21-20-15)19-17(22)12-8-13(23-3)10-14(9-12)24-4/h6-11H,5H2,1-4H3,(H,18,20)(H,19,21,22)
InChIKeyTYYKSXDXWIZTKT-UHFFFAOYSA-N
MW330.39 g/mol
LogP2.96
Rot. Bonds7

About N-[6-(butan-2-ylamino)pyridazin-3-yl]-3,5-dimethoxybenzamide

N-[6-(butan-2-ylamino)pyridazin-3-yl]-3,5-dimethoxybenzamide (PubChem CID 113038583) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is N-[6-(butan-2-ylamino)pyridazin-3-yl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[6-(butan-2-ylamino)pyridazin-3-yl]-3,5-dimethoxybenzamide
PubChem CID113038583
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC NameN-[6-(butan-2-ylamino)pyridazin-3-yl]-3,5-dimethoxybenzamide
SMILESCCC(C)Nc1ccc(NC(=O)c2cc(OC)cc(OC)c2)nn1
InChIInChI=1S/C17H22N4O3/c1-5-11(2)18-15-6-7-16(21-20-15)19-17(22)12-8-13(23-3)10-14(9-12)24-4/h6-11H,5H2,1-4H3,(H,18,20)(H,19,21,22)
InChIKeyTYYKSXDXWIZTKT-UHFFFAOYSA-N
XLogP2.96
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[6-(butan-2-ylamino)pyridazin-3-yl]-3,5-dimethoxybenzamide 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-(butan-2-ylamino)pyridazin-3-yl]-4-methoxybenzamide
CID 113038582
3,5-dimethoxy-N-[6-(1-phenylethylamino)pyridazin-3-yl]benzamide
CID 113041180
3-bromo-N-[6-(butan-2-ylamino)pyridazin-3-yl]benzamide
CID 113038578
N-[6-(dipropylamino)pyridazin-3-yl]-3,5-dimethoxybenzamide
CID 113045149
N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]-3,5-dimethoxybenzamide
CID 113039907
3,5-dimethoxy-N-[6-(3-phenylpropylamino)pyridazin-3-yl]benzamide
CID 113044099
N-[6-[2-(4-fluorophenyl)ethylamino]pyridazin-3-yl]-3,5-dimethoxybenzamide
CID 113042583
N-[5-(diethylamino)-2-pyridinyl]-3,5-dimethoxybenzamide
CID 113029690
4-methoxy-N-[6-(1-phenylethylamino)pyridazin-3-yl]benzamide
CID 113041179
N-[4-(butan-2-ylamino)phenyl]-4-methoxybenzamide
CID 112980466
N-[2-[(2S)-butan-2-yl]phenyl]-3,5-dimethoxybenzamide
CID 2670827
N-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]-3,5-dimethoxybenzamide
CID 113039326

Frequently Asked Questions

What is the IUPAC name of N-[6-(butan-2-ylamino)pyridazin-3-yl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[6-(butan-2-ylamino)pyridazin-3-yl]-3,5-dimethoxybenzamide (CID 113038583) is N-[6-(butan-2-ylamino)pyridazin-3-yl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[6-(butan-2-ylamino)pyridazin-3-yl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[6-(butan-2-ylamino)pyridazin-3-yl]-3,5-dimethoxybenzamide is CCC(C)Nc1ccc(NC(=O)c2cc(OC)cc(OC)c2)nn1.
What is the InChIKey of N-[6-(butan-2-ylamino)pyridazin-3-yl]-3,5-dimethoxybenzamide?
The InChIKey is TYYKSXDXWIZTKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-5-11(2)18-15-6-7-16(21-20-15)19-17(22)12-8-13(23-3)10-14(9-12)24-4/h6-11H,5H2,1-4H3,(H,18,20)(H,19,21,22).
What are the key properties of N-[6-(butan-2-ylamino)pyridazin-3-yl]-3,5-dimethoxybenzamide?
N-[6-(butan-2-ylamino)pyridazin-3-yl]-3,5-dimethoxybenzamide has a molecular weight of 330.39 g/mol, XLogP of 2.96, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(butan-2-ylamino)pyridazin-3-yl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 113038583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).