N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]-2-(4-methylpyrazol-1-yl)propanamide

C18H26N6O2 — CID 70764418

IUPACN-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]-2-(4-methylpyrazol-1-yl)propanamide
SMILESCc1cnn(C(C)C(=O)NCC2CCN(c3cnn(C)c(=O)c3)CC2)c1
InChIInChI=1S/C18H26N6O2/c1-13-9-21-24(12-13)14(2)18(26)19-10-15-4-6-23(7-5-15)16-8-17(25)22(3)20-11-16/h8-9,11-12,14-15H,4-7,10H2,1-3H3,(H,19,26)
InChIKeyQCSWLOHEOMYGJR-UHFFFAOYSA-N
MW358.45 g/mol
LogP0.88
Rot. Bonds5

About N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]-2-(4-methylpyrazol-1-yl)propanamide

N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]-2-(4-methylpyrazol-1-yl)propanamide (PubChem CID 70764418) has the molecular formula C18H26N6O2 and a molecular weight of 358.45 g/mol. Its IUPAC name is N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]-2-(4-methylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]-2-(4-methylpyrazol-1-yl)propanamide
PubChem CID70764418
Molecular FormulaC18H26N6O2
Molecular Weight358.45 g/mol
Exact Mass358.21
IUPAC NameN-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]-2-(4-methylpyrazol-1-yl)propanamide
SMILESCc1cnn(C(C)C(=O)NCC2CCN(c3cnn(C)c(=O)c3)CC2)c1
InChIInChI=1S/C18H26N6O2/c1-13-9-21-24(12-13)14(2)18(26)19-10-15-4-6-23(7-5-15)16-8-17(25)22(3)20-11-16/h8-9,11-12,14-15H,4-7,10H2,1-3H3,(H,19,26)
InChIKeyQCSWLOHEOMYGJR-UHFFFAOYSA-N
XLogP0.88
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]-2-(4-methylpyrazol-1-yl)propanamide?
The IUPAC name of N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]-2-(4-methylpyrazol-1-yl)propanamide (CID 70764418) is N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]-2-(4-methylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]-2-(4-methylpyrazol-1-yl)propanamide?
The canonical SMILES for N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]-2-(4-methylpyrazol-1-yl)propanamide is Cc1cnn(C(C)C(=O)NCC2CCN(c3cnn(C)c(=O)c3)CC2)c1.
What is the InChIKey of N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]-2-(4-methylpyrazol-1-yl)propanamide?
The InChIKey is QCSWLOHEOMYGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O2/c1-13-9-21-24(12-13)14(2)18(26)19-10-15-4-6-23(7-5-15)16-8-17(25)22(3)20-11-16/h8-9,11-12,14-15H,4-7,10H2,1-3H3,(H,19,26).
What are the key properties of N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]-2-(4-methylpyrazol-1-yl)propanamide?
N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]-2-(4-methylpyrazol-1-yl)propanamide has a molecular weight of 358.45 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]-2-(4-methylpyrazol-1-yl)propanamide is sourced from PubChem (CID 70764418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).