[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone

C19H24N4O — CID 109113327

IUPAC[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCc1ccccc1CNc1ccc(C(=O)N2CCC(C)CC2)nn1
InChIInChI=1S/C19H24N4O/c1-14-9-11-23(12-10-14)19(24)17-7-8-18(22-21-17)20-13-16-6-4-3-5-15(16)2/h3-8,14H,9-13H2,1-2H3,(H,20,22)
InChIKeyYGZKOYPAGLDGHQ-UHFFFAOYSA-N
MW324.43 g/mol
LogP3.27
Rot. Bonds4

About [6-[(2-methylphenyl)methylamino]pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone

[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 109113327) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is [6-[(2-methylphenyl)methylamino]pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone
PubChem CID109113327
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCc1ccccc1CNc1ccc(C(=O)N2CCC(C)CC2)nn1
InChIInChI=1S/C19H24N4O/c1-14-9-11-23(12-10-14)19(24)17-7-8-18(22-21-17)20-13-16-6-4-3-5-15(16)2/h3-8,14H,9-13H2,1-2H3,(H,20,22)
InChIKeyYGZKOYPAGLDGHQ-UHFFFAOYSA-N
XLogP3.27
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]methanone
CID 109118019
6-[(2-methylphenyl)methylamino]pyridazine-3-carboxylic acid
CID 54944511
N-[(2-methylphenyl)methyl]-6-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109095422
(4-methylpiperidin-1-yl)-[6-(propan-2-ylamino)pyridazin-3-yl]methanone
CID 109109406
[6-(butan-2-ylamino)pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 109111350
(4-methylpiperidin-1-yl)-[6-(1-phenylethylamino)pyridazin-3-yl]methanone
CID 109113330
[6-(3-methylanilino)pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 109113392
[6-(2,6-difluoroanilino)pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 109113489
[6-(benzylamino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 109111903
[6-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 109113349
[6-[(2-methylphenyl)methylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109341636
[6-(benzylamino)-2-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109364262

Frequently Asked Questions

What is the IUPAC name of [6-[(2-methylphenyl)methylamino]pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [6-[(2-methylphenyl)methylamino]pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone (CID 109113327) is [6-[(2-methylphenyl)methylamino]pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [6-[(2-methylphenyl)methylamino]pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [6-[(2-methylphenyl)methylamino]pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone is Cc1ccccc1CNc1ccc(C(=O)N2CCC(C)CC2)nn1.
What is the InChIKey of [6-[(2-methylphenyl)methylamino]pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is YGZKOYPAGLDGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-14-9-11-23(12-10-14)19(24)17-7-8-18(22-21-17)20-13-16-6-4-3-5-15(16)2/h3-8,14H,9-13H2,1-2H3,(H,20,22).
What are the key properties of [6-[(2-methylphenyl)methylamino]pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone?
[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 324.43 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(2-methylphenyl)methylamino]pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 109113327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).