[6-[benzyl(propan-2-yl)amino]pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone

C21H28N4O — CID 109125080

IUPAC[6-[benzyl(propan-2-yl)amino]pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2ccc(N(Cc3ccccc3)C(C)C)nn2)C1
InChIInChI=1S/C21H28N4O/c1-16(2)25(15-18-9-5-4-6-10-18)20-12-11-19(22-23-20)21(26)24-13-7-8-17(3)14-24/h4-6,9-12,16-17H,7-8,13-15H2,1-3H3
InChIKeyNGMCYJVZUCKQQO-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.76
Rot. Bonds5

About [6-[benzyl(propan-2-yl)amino]pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone

[6-[benzyl(propan-2-yl)amino]pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone (PubChem CID 109125080) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is [6-[benzyl(propan-2-yl)amino]pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[6-[benzyl(propan-2-yl)amino]pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone
PubChem CID109125080
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC Name[6-[benzyl(propan-2-yl)amino]pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2ccc(N(Cc3ccccc3)C(C)C)nn2)C1
InChIInChI=1S/C21H28N4O/c1-16(2)25(15-18-9-5-4-6-10-18)20-12-11-19(22-23-20)21(26)24-13-7-8-17(3)14-24/h4-6,9-12,16-17H,7-8,13-15H2,1-3H3
InChIKeyNGMCYJVZUCKQQO-UHFFFAOYSA-N
XLogP3.76
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [6-[benzyl(propan-2-yl)amino]pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone 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-methylpiperidin-1-yl)-(6-phenylpyridazin-3-yl)methanone
CID 113200594
[2-[benzyl(methyl)amino]-6-methylpyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109328238
[2-[benzyl(propan-2-yl)amino]-4-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109166421
(3-methylpiperidin-1-yl)-[6-(2-methylpropylamino)pyridazin-3-yl]methanone
CID 109111042
[6-[benzyl(propan-2-yl)amino]-2-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109362945
[4-[benzyl(methyl)amino]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109211045
N-benzyl-6-[benzyl(propan-2-yl)amino]pyridazine-3-carboxamide
CID 109117885
[2-[benzyl(methyl)amino]pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone
CID 109256784
6-[benzyl(propan-2-yl)amino]-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide
CID 109115031
2-methyl-1-(3-methylpiperidin-1-yl)-3-phenylpropan-1-one
CID 110355924
azepan-1-yl-[2-[benzyl(propan-2-yl)amino]pyrimidin-4-yl]methanone
CID 109311628
[6-[benzyl(methyl)amino]pyridazin-3-yl]-morpholin-4-ylmethanone
CID 109114629

Frequently Asked Questions

What is the IUPAC name of [6-[benzyl(propan-2-yl)amino]pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of [6-[benzyl(propan-2-yl)amino]pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone (CID 109125080) is [6-[benzyl(propan-2-yl)amino]pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [6-[benzyl(propan-2-yl)amino]pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for [6-[benzyl(propan-2-yl)amino]pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone is CC1CCCN(C(=O)c2ccc(N(Cc3ccccc3)C(C)C)nn2)C1.
What is the InChIKey of [6-[benzyl(propan-2-yl)amino]pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone?
The InChIKey is NGMCYJVZUCKQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c1-16(2)25(15-18-9-5-4-6-10-18)20-12-11-19(22-23-20)21(26)24-13-7-8-17(3)14-24/h4-6,9-12,16-17H,7-8,13-15H2,1-3H3.
What are the key properties of [6-[benzyl(propan-2-yl)amino]pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone?
[6-[benzyl(propan-2-yl)amino]pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone has a molecular weight of 352.48 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[benzyl(propan-2-yl)amino]pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 109125080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).