3-methyl-N-(pyridazin-3-ylmethyl)piperidine-3-carboxamide

C12H18N4O — CID 106896221

IUPAC3-methyl-N-(pyridazin-3-ylmethyl)piperidine-3-carboxamide
SMILESCC1(C(=O)NCc2cccnn2)CCCNC1
InChIInChI=1S/C12H18N4O/c1-12(5-3-6-13-9-12)11(17)14-8-10-4-2-7-15-16-10/h2,4,7,13H,3,5-6,8-9H2,1H3,(H,14,17)
InChIKeyGFNZQFPGWXWLJH-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.48
Rot. Bonds3

About 3-methyl-N-(pyridazin-3-ylmethyl)piperidine-3-carboxamide

3-methyl-N-(pyridazin-3-ylmethyl)piperidine-3-carboxamide (PubChem CID 106896221) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 3-methyl-N-(pyridazin-3-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(pyridazin-3-ylmethyl)piperidine-3-carboxamide
PubChem CID106896221
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name3-methyl-N-(pyridazin-3-ylmethyl)piperidine-3-carboxamide
SMILESCC1(C(=O)NCc2cccnn2)CCCNC1
InChIInChI=1S/C12H18N4O/c1-12(5-3-6-13-9-12)11(17)14-8-10-4-2-7-15-16-10/h2,4,7,13H,3,5-6,8-9H2,1H3,(H,14,17)
InChIKeyGFNZQFPGWXWLJH-UHFFFAOYSA-N
XLogP0.48
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 ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(pyridazin-3-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 106896124
3-propyl-N-(pyridazin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 106896186
3-methyl-N-[(3-methyl-2-pyridinyl)methyl]piperidine-3-carboxamide;dihydrochloride
CID 119946915
3-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide
CID 55165281
N-[(4-hydroxyphenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 113357142
3-methyl-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide;dihydrochloride
CID 119946078
N-[[3-(hydroxymethyl)phenyl]methyl]-3-methylpiperidine-3-carboxamide
CID 103822034
N-[(2-fluorophenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 55176835
(3R)-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 92864096
1-carbamothioyl-N-(pyridazin-3-ylmethyl)cyclobutane-1-carboxamide
CID 106896257
N-[(4-acetamidophenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 63134873
N-[(3-chlorophenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 63130190

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(pyridazin-3-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of 3-methyl-N-(pyridazin-3-ylmethyl)piperidine-3-carboxamide (CID 106896221) is 3-methyl-N-(pyridazin-3-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for 3-methyl-N-(pyridazin-3-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for 3-methyl-N-(pyridazin-3-ylmethyl)piperidine-3-carboxamide is CC1(C(=O)NCc2cccnn2)CCCNC1.
What is the InChIKey of 3-methyl-N-(pyridazin-3-ylmethyl)piperidine-3-carboxamide?
The InChIKey is GFNZQFPGWXWLJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-12(5-3-6-13-9-12)11(17)14-8-10-4-2-7-15-16-10/h2,4,7,13H,3,5-6,8-9H2,1H3,(H,14,17).
What are the key properties of 3-methyl-N-(pyridazin-3-ylmethyl)piperidine-3-carboxamide?
3-methyl-N-(pyridazin-3-ylmethyl)piperidine-3-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(pyridazin-3-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 106896221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).