2-[4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]-N-(6-methoxypyridazin-3-yl)propanamide

C18H21F2N5O3 — CID 163237816

IUPAC2-[4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]-N-(6-methoxypyridazin-3-yl)propanamide
SMILESCOc1ccc(NC(=O)C(C)N2CCC(F)(F)C(c3ccc(=O)[nH]c3)C2)nn1
InChIInChI=1S/C18H21F2N5O3/c1-11(17(27)22-14-4-6-16(28-2)24-23-14)25-8-7-18(19,20)13(10-25)12-3-5-15(26)21-9-12/h3-6,9,11,13H,7-8,10H2,1-2H3,(H,21,26)(H,22,23,27)
InChIKeyPSYBHMFQAYKIDV-UHFFFAOYSA-N
MW393.39 g/mol
LogP1.63
Rot. Bonds5

About 2-[4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]-N-(6-methoxypyridazin-3-yl)propanamide

2-[4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]-N-(6-methoxypyridazin-3-yl)propanamide (PubChem CID 163237816) has the molecular formula C18H21F2N5O3 and a molecular weight of 393.39 g/mol. Its IUPAC name is 2-[4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]-N-(6-methoxypyridazin-3-yl)propanamide.

Molecular Properties

Compound Name2-[4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]-N-(6-methoxypyridazin-3-yl)propanamide
PubChem CID163237816
Molecular FormulaC18H21F2N5O3
Molecular Weight393.39 g/mol
Exact Mass393.16
IUPAC Name2-[4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]-N-(6-methoxypyridazin-3-yl)propanamide
SMILESCOc1ccc(NC(=O)C(C)N2CCC(F)(F)C(c3ccc(=O)[nH]c3)C2)nn1
InChIInChI=1S/C18H21F2N5O3/c1-11(17(27)22-14-4-6-16(28-2)24-23-14)25-8-7-18(19,20)13(10-25)12-3-5-15(26)21-9-12/h3-6,9,11,13H,7-8,10H2,1-2H3,(H,21,26)(H,22,23,27)
InChIKeyPSYBHMFQAYKIDV-UHFFFAOYSA-N
XLogP1.63
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.39
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]-N-(6-methoxypyridazin-3-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]-N-(6-methoxypyridazin-3-yl)propanamide?
The IUPAC name of 2-[4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]-N-(6-methoxypyridazin-3-yl)propanamide (CID 163237816) is 2-[4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]-N-(6-methoxypyridazin-3-yl)propanamide.
What is the SMILES notation for 2-[4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]-N-(6-methoxypyridazin-3-yl)propanamide?
The canonical SMILES for 2-[4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]-N-(6-methoxypyridazin-3-yl)propanamide is COc1ccc(NC(=O)C(C)N2CCC(F)(F)C(c3ccc(=O)[nH]c3)C2)nn1.
What is the InChIKey of 2-[4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]-N-(6-methoxypyridazin-3-yl)propanamide?
The InChIKey is PSYBHMFQAYKIDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N5O3/c1-11(17(27)22-14-4-6-16(28-2)24-23-14)25-8-7-18(19,20)13(10-25)12-3-5-15(26)21-9-12/h3-6,9,11,13H,7-8,10H2,1-2H3,(H,21,26)(H,22,23,27).
What are the key properties of 2-[4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]-N-(6-methoxypyridazin-3-yl)propanamide?
2-[4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]-N-(6-methoxypyridazin-3-yl)propanamide has a molecular weight of 393.39 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]-N-(6-methoxypyridazin-3-yl)propanamide is sourced from PubChem (CID 163237816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).