N-[1-(2-methoxyethyl)piperidin-4-yl]-6-oxo-1-propylpyridazine-3-carboxamide

C16H26N4O3 — CID 47079519

IUPACN-[1-(2-methoxyethyl)piperidin-4-yl]-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)NC2CCN(CCOC)CC2)ccc1=O
InChIInChI=1S/C16H26N4O3/c1-3-8-20-15(21)5-4-14(18-20)16(22)17-13-6-9-19(10-7-13)11-12-23-2/h4-5,13H,3,6-12H2,1-2H3,(H,17,22)
InChIKeyGAJFBSXCDMRSRB-UHFFFAOYSA-N
MW322.41 g/mol
LogP0.49
Rot. Bonds7

About N-[1-(2-methoxyethyl)piperidin-4-yl]-6-oxo-1-propylpyridazine-3-carboxamide

N-[1-(2-methoxyethyl)piperidin-4-yl]-6-oxo-1-propylpyridazine-3-carboxamide (PubChem CID 47079519) has the molecular formula C16H26N4O3 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[1-(2-methoxyethyl)piperidin-4-yl]-6-oxo-1-propylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-methoxyethyl)piperidin-4-yl]-6-oxo-1-propylpyridazine-3-carboxamide
PubChem CID47079519
Molecular FormulaC16H26N4O3
Molecular Weight322.41 g/mol
Exact Mass322.20
IUPAC NameN-[1-(2-methoxyethyl)piperidin-4-yl]-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)NC2CCN(CCOC)CC2)ccc1=O
InChIInChI=1S/C16H26N4O3/c1-3-8-20-15(21)5-4-14(18-20)16(22)17-13-6-9-19(10-7-13)11-12-23-2/h4-5,13H,3,6-12H2,1-2H3,(H,17,22)
InChIKeyGAJFBSXCDMRSRB-UHFFFAOYSA-N
XLogP0.49
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-(2-methoxyethyl)piperidin-4-yl]-6-oxo-1-propylpyridazine-3-carboxamide 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 N-[1-(2-methoxyethyl)piperidin-4-yl]-6-oxo-1-propylpyridazine-3-carboxamide?
The IUPAC name of N-[1-(2-methoxyethyl)piperidin-4-yl]-6-oxo-1-propylpyridazine-3-carboxamide (CID 47079519) is N-[1-(2-methoxyethyl)piperidin-4-yl]-6-oxo-1-propylpyridazine-3-carboxamide.
What is the SMILES notation for N-[1-(2-methoxyethyl)piperidin-4-yl]-6-oxo-1-propylpyridazine-3-carboxamide?
The canonical SMILES for N-[1-(2-methoxyethyl)piperidin-4-yl]-6-oxo-1-propylpyridazine-3-carboxamide is CCCn1nc(C(=O)NC2CCN(CCOC)CC2)ccc1=O.
What is the InChIKey of N-[1-(2-methoxyethyl)piperidin-4-yl]-6-oxo-1-propylpyridazine-3-carboxamide?
The InChIKey is GAJFBSXCDMRSRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3/c1-3-8-20-15(21)5-4-14(18-20)16(22)17-13-6-9-19(10-7-13)11-12-23-2/h4-5,13H,3,6-12H2,1-2H3,(H,17,22).
What are the key properties of N-[1-(2-methoxyethyl)piperidin-4-yl]-6-oxo-1-propylpyridazine-3-carboxamide?
N-[1-(2-methoxyethyl)piperidin-4-yl]-6-oxo-1-propylpyridazine-3-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 0.49, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyethyl)piperidin-4-yl]-6-oxo-1-propylpyridazine-3-carboxamide is sourced from PubChem (CID 47079519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).