N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]propanamide

C19H24N4O — CID 7593463

IUPACN-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(-c2ccc(N3CCC(C)CC3)nn2)cc1
InChIInChI=1S/C19H24N4O/c1-3-19(24)20-16-6-4-15(5-7-16)17-8-9-18(22-21-17)23-12-10-14(2)11-13-23/h4-9,14H,3,10-13H2,1-2H3,(H,20,24)
InChIKeyKELCRVXJSAZVSL-UHFFFAOYSA-N
MW324.43 g/mol
LogP3.73
Rot. Bonds4

About N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]propanamide

N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]propanamide (PubChem CID 7593463) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]propanamide
PubChem CID7593463
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC NameN-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(-c2ccc(N3CCC(C)CC3)nn2)cc1
InChIInChI=1S/C19H24N4O/c1-3-19(24)20-16-6-4-15(5-7-16)17-8-9-18(22-21-17)23-12-10-14(2)11-13-23/h4-9,14H,3,10-13H2,1-2H3,(H,20,24)
InChIKeyKELCRVXJSAZVSL-UHFFFAOYSA-N
XLogP3.73
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 ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]propanamide?
The IUPAC name of N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]propanamide (CID 7593463) is N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]propanamide.
What is the SMILES notation for N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]propanamide?
The canonical SMILES for N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]propanamide is CCC(=O)Nc1ccc(-c2ccc(N3CCC(C)CC3)nn2)cc1.
What is the InChIKey of N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]propanamide?
The InChIKey is KELCRVXJSAZVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-3-19(24)20-16-6-4-15(5-7-16)17-8-9-18(22-21-17)23-12-10-14(2)11-13-23/h4-9,14H,3,10-13H2,1-2H3,(H,20,24).
What are the key properties of N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]propanamide?
N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]propanamide has a molecular weight of 324.43 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]propanamide is sourced from PubChem (CID 7593463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).