N-[(R)-oxan-4-yl(pyridin-3-yl)methyl]-2-(6-oxopyridazin-1-yl)acetamide

C17H20N4O3 — CID 100701151

IUPACN-[(R)-oxan-4-yl(pyridin-3-yl)methyl]-2-(6-oxopyridazin-1-yl)acetamide
SMILESO=C(Cn1ncccc1=O)N[C@@H](c1cccnc1)C1CCOCC1
InChIInChI=1S/C17H20N4O3/c22-15(12-21-16(23)4-2-8-19-21)20-17(13-5-9-24-10-6-13)14-3-1-7-18-11-14/h1-4,7-8,11,13,17H,5-6,9-10,12H2,(H,20,22)/t17-/m1/s1
InChIKeyCIEWXMQDLHPNCE-QGZVFWFLSA-N
MW328.37 g/mol
LogP0.92
Rot. Bonds5

About N-[(R)-oxan-4-yl(pyridin-3-yl)methyl]-2-(6-oxopyridazin-1-yl)acetamide

N-[(R)-oxan-4-yl(pyridin-3-yl)methyl]-2-(6-oxopyridazin-1-yl)acetamide (PubChem CID 100701151) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is N-[(R)-oxan-4-yl(pyridin-3-yl)methyl]-2-(6-oxopyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(R)-oxan-4-yl(pyridin-3-yl)methyl]-2-(6-oxopyridazin-1-yl)acetamide
PubChem CID100701151
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC NameN-[(R)-oxan-4-yl(pyridin-3-yl)methyl]-2-(6-oxopyridazin-1-yl)acetamide
SMILESO=C(Cn1ncccc1=O)N[C@@H](c1cccnc1)C1CCOCC1
InChIInChI=1S/C17H20N4O3/c22-15(12-21-16(23)4-2-8-19-21)20-17(13-5-9-24-10-6-13)14-3-1-7-18-11-14/h1-4,7-8,11,13,17H,5-6,9-10,12H2,(H,20,22)/t17-/m1/s1
InChIKeyCIEWXMQDLHPNCE-QGZVFWFLSA-N
XLogP0.92
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(R)-oxan-4-yl(pyridin-3-yl)methyl]-2-(6-oxopyridazin-1-yl)acetamide 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

2-benzylsulfanyl-N-[(R)-oxan-4-yl(pyridin-3-yl)methyl]acetamide
CID 100699932
2-benzylsulfanyl-N-[oxan-4-yl(pyridin-3-yl)methyl]acetamide
CID 91629752
3-(2-chloro-6-fluorophenyl)-N-[oxan-4-yl(pyridin-3-yl)methyl]propanamide
CID 91629768
N-[oxan-4-yl(pyridin-3-yl)methyl]-3-pyrazol-1-ylbenzamide
CID 91629823
N-[(S)-oxan-4-yl(pyridin-3-yl)methyl]pyrazine-2-carboxamide
CID 100699381
1-methyl-N-[oxan-4-yl(pyridin-3-yl)methyl]-6-oxopyridazine-3-carboxamide
CID 91629784
2-bromo-N-[oxan-4-yl(pyridin-3-yl)methyl]benzamide
CID 91629797
(E)-N-[(S)-oxan-4-yl(pyridin-3-yl)methyl]-3-phenylprop-2-enamide
CID 100699545
1-(1-adamantyl)-3-[oxan-4-yl(pyridin-3-yl)methyl]urea
CID 91629831
3-[3-(4-fluorophenoxy)phenyl]-N-[(S)-oxan-4-yl(pyridin-3-yl)methyl]propanamide
CID 124761427
3-fluoro-4-methoxy-N-[oxan-4-yl(pyridin-3-yl)methyl]benzamide
CID 91629820
2-[2-oxo-2-(oxolan-3-yl)ethyl]pyridazin-3-one
CID 104751388

Frequently Asked Questions

What is the IUPAC name of N-[(R)-oxan-4-yl(pyridin-3-yl)methyl]-2-(6-oxopyridazin-1-yl)acetamide?
The IUPAC name of N-[(R)-oxan-4-yl(pyridin-3-yl)methyl]-2-(6-oxopyridazin-1-yl)acetamide (CID 100701151) is N-[(R)-oxan-4-yl(pyridin-3-yl)methyl]-2-(6-oxopyridazin-1-yl)acetamide.
What is the SMILES notation for N-[(R)-oxan-4-yl(pyridin-3-yl)methyl]-2-(6-oxopyridazin-1-yl)acetamide?
The canonical SMILES for N-[(R)-oxan-4-yl(pyridin-3-yl)methyl]-2-(6-oxopyridazin-1-yl)acetamide is O=C(Cn1ncccc1=O)N[C@@H](c1cccnc1)C1CCOCC1.
What is the InChIKey of N-[(R)-oxan-4-yl(pyridin-3-yl)methyl]-2-(6-oxopyridazin-1-yl)acetamide?
The InChIKey is CIEWXMQDLHPNCE-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H20N4O3/c22-15(12-21-16(23)4-2-8-19-21)20-17(13-5-9-24-10-6-13)14-3-1-7-18-11-14/h1-4,7-8,11,13,17H,5-6,9-10,12H2,(H,20,22)/t17-/m1/s1.
What are the key properties of N-[(R)-oxan-4-yl(pyridin-3-yl)methyl]-2-(6-oxopyridazin-1-yl)acetamide?
N-[(R)-oxan-4-yl(pyridin-3-yl)methyl]-2-(6-oxopyridazin-1-yl)acetamide has a molecular weight of 328.37 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-oxan-4-yl(pyridin-3-yl)methyl]-2-(6-oxopyridazin-1-yl)acetamide is sourced from PubChem (CID 100701151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).