N-benzyl-6-(3-methylpiperidin-1-yl)pyridazine-3-carboxamide

C18H22N4O — CID 109117891

IUPACN-benzyl-6-(3-methylpiperidin-1-yl)pyridazine-3-carboxamide
SMILESCC1CCCN(c2ccc(C(=O)NCc3ccccc3)nn2)C1
InChIInChI=1S/C18H22N4O/c1-14-6-5-11-22(13-14)17-10-9-16(20-21-17)18(23)19-12-15-7-3-2-4-8-15/h2-4,7-10,14H,5-6,11-13H2,1H3,(H,19,23)
InChIKeyBYWPYBGQBSMTFG-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.64
Rot. Bonds4

About N-benzyl-6-(3-methylpiperidin-1-yl)pyridazine-3-carboxamide

N-benzyl-6-(3-methylpiperidin-1-yl)pyridazine-3-carboxamide (PubChem CID 109117891) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is N-benzyl-6-(3-methylpiperidin-1-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-(3-methylpiperidin-1-yl)pyridazine-3-carboxamide
PubChem CID109117891
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC NameN-benzyl-6-(3-methylpiperidin-1-yl)pyridazine-3-carboxamide
SMILESCC1CCCN(c2ccc(C(=O)NCc3ccccc3)nn2)C1
InChIInChI=1S/C18H22N4O/c1-14-6-5-11-22(13-14)17-10-9-16(20-21-17)18(23)19-12-15-7-3-2-4-8-15/h2-4,7-10,14H,5-6,11-13H2,1H3,(H,19,23)
InChIKeyBYWPYBGQBSMTFG-UHFFFAOYSA-N
XLogP2.64
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-5-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109187875
N-butan-2-yl-6-(3-methylpiperidin-1-yl)pyridazine-3-carboxamide
CID 109111616
6-(4-acetylpiperazin-1-yl)-N-benzylpyridazine-3-carboxamide
CID 109117077
N-tert-butyl-6-(3-methylpiperidin-1-yl)pyridazine-3-carboxamide
CID 109124840
N-[(4-methylphenyl)methyl]-6-(4-methylpiperidin-1-yl)pyridazine-3-carboxamide
CID 109113150
N,N-diethyl-6-(3-methylpiperidin-1-yl)pyridazine-3-carboxamide
CID 109124404
N-(2-ethoxyphenyl)-6-(3-methylpiperidin-1-yl)pyridazine-3-carboxamide
CID 109125972
N-[2-(4-methoxyphenoxy)ethyl]-6-(3-methylpiperidin-1-yl)pyridazine-3-carboxamide
CID 109124665
6-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)pyridazine-3-carboxamide
CID 109113164
6-[(3S)-3-anilinopiperidin-1-yl]-N-ethylpyridazine-3-carboxamide
CID 97099971
N-(2,3-dichlorophenyl)-6-(3-methylpiperidin-1-yl)pyridazine-3-carboxamide
CID 109126021
5-(3-methylpiperidin-1-yl)-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide
CID 109283250

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-(3-methylpiperidin-1-yl)pyridazine-3-carboxamide?
The IUPAC name of N-benzyl-6-(3-methylpiperidin-1-yl)pyridazine-3-carboxamide (CID 109117891) is N-benzyl-6-(3-methylpiperidin-1-yl)pyridazine-3-carboxamide.
What is the SMILES notation for N-benzyl-6-(3-methylpiperidin-1-yl)pyridazine-3-carboxamide?
The canonical SMILES for N-benzyl-6-(3-methylpiperidin-1-yl)pyridazine-3-carboxamide is CC1CCCN(c2ccc(C(=O)NCc3ccccc3)nn2)C1.
What is the InChIKey of N-benzyl-6-(3-methylpiperidin-1-yl)pyridazine-3-carboxamide?
The InChIKey is BYWPYBGQBSMTFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-14-6-5-11-22(13-14)17-10-9-16(20-21-17)18(23)19-12-15-7-3-2-4-8-15/h2-4,7-10,14H,5-6,11-13H2,1H3,(H,19,23).
What are the key properties of N-benzyl-6-(3-methylpiperidin-1-yl)pyridazine-3-carboxamide?
N-benzyl-6-(3-methylpiperidin-1-yl)pyridazine-3-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-(3-methylpiperidin-1-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 109117891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).