N-[(3-methylpiperidin-3-yl)methyl]pyridazine-4-carboxamide

C12H18N4O — CID 104671755

IUPACN-[(3-methylpiperidin-3-yl)methyl]pyridazine-4-carboxamide
SMILESCC1(CNC(=O)c2ccnnc2)CCCNC1
InChIInChI=1S/C12H18N4O/c1-12(4-2-5-13-8-12)9-14-11(17)10-3-6-15-16-7-10/h3,6-7,13H,2,4-5,8-9H2,1H3,(H,14,17)
InChIKeyLJYGXYYTVRSIKO-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.60
Rot. Bonds3

About N-[(3-methylpiperidin-3-yl)methyl]pyridazine-4-carboxamide

N-[(3-methylpiperidin-3-yl)methyl]pyridazine-4-carboxamide (PubChem CID 104671755) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is N-[(3-methylpiperidin-3-yl)methyl]pyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-methylpiperidin-3-yl)methyl]pyridazine-4-carboxamide
PubChem CID104671755
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC NameN-[(3-methylpiperidin-3-yl)methyl]pyridazine-4-carboxamide
SMILESCC1(CNC(=O)c2ccnnc2)CCCNC1
InChIInChI=1S/C12H18N4O/c1-12(4-2-5-13-8-12)9-14-11(17)10-3-6-15-16-7-10/h3,6-7,13H,2,4-5,8-9H2,1H3,(H,14,17)
InChIKeyLJYGXYYTVRSIKO-UHFFFAOYSA-N
XLogP0.60
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(3-methylpiperidin-3-yl)methyl]pyridazine-4-carboxamide 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

5-bromo-N-[(3-methylpiperidin-3-yl)methyl]pyridine-3-carboxamide
CID 113400479
N-(3-methylpyrrolidin-3-yl)pyridazine-4-carboxamide
CID 107423050
5-chloro-N-[(3-methylpiperidin-3-yl)methyl]pyridine-2-carboxamide
CID 113400496
2,3-dihydroxy-N-[(3-methylpiperidin-3-yl)methyl]benzamide
CID 114345124
5-bromo-N-[(3-methylpiperidin-3-yl)methyl]thiophene-3-carboxamide
CID 113412084
N-(3-methylazetidin-3-yl)pyridazine-4-carboxamide
CID 130913746
N-[[1-(bromomethyl)cyclohexyl]methyl]pyridazine-4-carboxamide
CID 113439559
N-[[1-(chloromethyl)cyclohexyl]methyl]pyridazine-4-carboxamide
CID 104672791
N-[(3-methylpiperidin-3-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide
CID 114040294
5-ethyl-N-[(3-methylpiperidin-3-yl)methyl]furan-2-carboxamide
CID 113400454
3-methyl-N-[(3-methylpiperidin-3-yl)methyl]-1,2-oxazole-5-carboxamide
CID 113400462
1-benzyl-3-[(3-methylpiperidin-3-yl)methyl]urea
CID 107654302

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylpiperidin-3-yl)methyl]pyridazine-4-carboxamide?
The IUPAC name of N-[(3-methylpiperidin-3-yl)methyl]pyridazine-4-carboxamide (CID 104671755) is N-[(3-methylpiperidin-3-yl)methyl]pyridazine-4-carboxamide.
What is the SMILES notation for N-[(3-methylpiperidin-3-yl)methyl]pyridazine-4-carboxamide?
The canonical SMILES for N-[(3-methylpiperidin-3-yl)methyl]pyridazine-4-carboxamide is CC1(CNC(=O)c2ccnnc2)CCCNC1.
What is the InChIKey of N-[(3-methylpiperidin-3-yl)methyl]pyridazine-4-carboxamide?
The InChIKey is LJYGXYYTVRSIKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-12(4-2-5-13-8-12)9-14-11(17)10-3-6-15-16-7-10/h3,6-7,13H,2,4-5,8-9H2,1H3,(H,14,17).
What are the key properties of N-[(3-methylpiperidin-3-yl)methyl]pyridazine-4-carboxamide?
N-[(3-methylpiperidin-3-yl)methyl]pyridazine-4-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylpiperidin-3-yl)methyl]pyridazine-4-carboxamide is sourced from PubChem (CID 104671755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).