4-[4-[(3-methyl-6-oxopyridazin-1-yl)methyl]piperidin-1-yl]pyridine-2-carboxamide

C17H21N5O2 — CID 126863928

IUPAC4-[4-[(3-methyl-6-oxopyridazin-1-yl)methyl]piperidin-1-yl]pyridine-2-carboxamide
SMILESCc1ccc(=O)n(CC2CCN(c3ccnc(C(N)=O)c3)CC2)n1
InChIInChI=1S/C17H21N5O2/c1-12-2-3-16(23)22(20-12)11-13-5-8-21(9-6-13)14-4-7-19-15(10-14)17(18)24/h2-4,7,10,13H,5-6,8-9,11H2,1H3,(H2,18,24)
InChIKeyAULKGEFEESISJF-UHFFFAOYSA-N
MW327.39 g/mol
LogP0.96
Rot. Bonds4

About 4-[4-[(3-methyl-6-oxopyridazin-1-yl)methyl]piperidin-1-yl]pyridine-2-carboxamide

4-[4-[(3-methyl-6-oxopyridazin-1-yl)methyl]piperidin-1-yl]pyridine-2-carboxamide (PubChem CID 126863928) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 4-[4-[(3-methyl-6-oxopyridazin-1-yl)methyl]piperidin-1-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[4-[(3-methyl-6-oxopyridazin-1-yl)methyl]piperidin-1-yl]pyridine-2-carboxamide
PubChem CID126863928
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name4-[4-[(3-methyl-6-oxopyridazin-1-yl)methyl]piperidin-1-yl]pyridine-2-carboxamide
SMILESCc1ccc(=O)n(CC2CCN(c3ccnc(C(N)=O)c3)CC2)n1
InChIInChI=1S/C17H21N5O2/c1-12-2-3-16(23)22(20-12)11-13-5-8-21(9-6-13)14-4-7-19-15(10-14)17(18)24/h2-4,7,10,13H,5-6,8-9,11H2,1H3,(H2,18,24)
InChIKeyAULKGEFEESISJF-UHFFFAOYSA-N
XLogP0.96
TPSA94.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[4-[(3-methyl-6-oxopyridazin-1-yl)methyl]piperidin-1-yl]pyridine-2-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 4-[4-[(3-methyl-6-oxopyridazin-1-yl)methyl]piperidin-1-yl]pyridine-2-carboxamide?
The IUPAC name of 4-[4-[(3-methyl-6-oxopyridazin-1-yl)methyl]piperidin-1-yl]pyridine-2-carboxamide (CID 126863928) is 4-[4-[(3-methyl-6-oxopyridazin-1-yl)methyl]piperidin-1-yl]pyridine-2-carboxamide.
What is the SMILES notation for 4-[4-[(3-methyl-6-oxopyridazin-1-yl)methyl]piperidin-1-yl]pyridine-2-carboxamide?
The canonical SMILES for 4-[4-[(3-methyl-6-oxopyridazin-1-yl)methyl]piperidin-1-yl]pyridine-2-carboxamide is Cc1ccc(=O)n(CC2CCN(c3ccnc(C(N)=O)c3)CC2)n1.
What is the InChIKey of 4-[4-[(3-methyl-6-oxopyridazin-1-yl)methyl]piperidin-1-yl]pyridine-2-carboxamide?
The InChIKey is AULKGEFEESISJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-12-2-3-16(23)22(20-12)11-13-5-8-21(9-6-13)14-4-7-19-15(10-14)17(18)24/h2-4,7,10,13H,5-6,8-9,11H2,1H3,(H2,18,24).
What are the key properties of 4-[4-[(3-methyl-6-oxopyridazin-1-yl)methyl]piperidin-1-yl]pyridine-2-carboxamide?
4-[4-[(3-methyl-6-oxopyridazin-1-yl)methyl]piperidin-1-yl]pyridine-2-carboxamide has a molecular weight of 327.39 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(3-methyl-6-oxopyridazin-1-yl)methyl]piperidin-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 126863928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).