N-(1-methylpiperidin-4-yl)-6-oxo-1-propylpyridazine-3-carboxamide

C14H22N4O2 — CID 47116640

IUPACN-(1-methylpiperidin-4-yl)-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)NC2CCN(C)CC2)ccc1=O
InChIInChI=1S/C14H22N4O2/c1-3-8-18-13(19)5-4-12(16-18)14(20)15-11-6-9-17(2)10-7-11/h4-5,11H,3,6-10H2,1-2H3,(H,15,20)
InChIKeyORINQBFZBUUXJH-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.48
Rot. Bonds4

About N-(1-methylpiperidin-4-yl)-6-oxo-1-propylpyridazine-3-carboxamide

N-(1-methylpiperidin-4-yl)-6-oxo-1-propylpyridazine-3-carboxamide (PubChem CID 47116640) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-(1-methylpiperidin-4-yl)-6-oxo-1-propylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(1-methylpiperidin-4-yl)-6-oxo-1-propylpyridazine-3-carboxamide
PubChem CID47116640
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN-(1-methylpiperidin-4-yl)-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)NC2CCN(C)CC2)ccc1=O
InChIInChI=1S/C14H22N4O2/c1-3-8-18-13(19)5-4-12(16-18)14(20)15-11-6-9-17(2)10-7-11/h4-5,11H,3,6-10H2,1-2H3,(H,15,20)
InChIKeyORINQBFZBUUXJH-UHFFFAOYSA-N
XLogP0.48
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1-methylpiperidin-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-methylpiperidin-4-yl)-6-oxo-1-propylpyridazine-3-carboxamide?
The IUPAC name of N-(1-methylpiperidin-4-yl)-6-oxo-1-propylpyridazine-3-carboxamide (CID 47116640) is N-(1-methylpiperidin-4-yl)-6-oxo-1-propylpyridazine-3-carboxamide.
What is the SMILES notation for N-(1-methylpiperidin-4-yl)-6-oxo-1-propylpyridazine-3-carboxamide?
The canonical SMILES for N-(1-methylpiperidin-4-yl)-6-oxo-1-propylpyridazine-3-carboxamide is CCCn1nc(C(=O)NC2CCN(C)CC2)ccc1=O.
What is the InChIKey of N-(1-methylpiperidin-4-yl)-6-oxo-1-propylpyridazine-3-carboxamide?
The InChIKey is ORINQBFZBUUXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-3-8-18-13(19)5-4-12(16-18)14(20)15-11-6-9-17(2)10-7-11/h4-5,11H,3,6-10H2,1-2H3,(H,15,20).
What are the key properties of N-(1-methylpiperidin-4-yl)-6-oxo-1-propylpyridazine-3-carboxamide?
N-(1-methylpiperidin-4-yl)-6-oxo-1-propylpyridazine-3-carboxamide has a molecular weight of 278.36 g/mol, XLogP of 0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpiperidin-4-yl)-6-oxo-1-propylpyridazine-3-carboxamide is sourced from PubChem (CID 47116640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).