phenyl N-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]carbamate

C17H20N4O2 — CID 170781349

IUPACphenyl N-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]carbamate
SMILESCC1CCCCN1c1ccc(NC(=O)Oc2ccccc2)nn1
InChIInChI=1S/C17H20N4O2/c1-13-7-5-6-12-21(13)16-11-10-15(19-20-16)18-17(22)23-14-8-3-2-4-9-14/h2-4,8-11,13H,5-7,12H2,1H3,(H,18,19,22)
InChIKeyGKJOHWJNKCXYML-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.47
Rot. Bonds3

About phenyl N-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]carbamate

phenyl N-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]carbamate (PubChem CID 170781349) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is phenyl N-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]carbamate.

Molecular Properties

Compound Namephenyl N-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]carbamate
PubChem CID170781349
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Namephenyl N-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]carbamate
SMILESCC1CCCCN1c1ccc(NC(=O)Oc2ccccc2)nn1
InChIInChI=1S/C17H20N4O2/c1-13-7-5-6-12-21(13)16-11-10-15(19-20-16)18-17(22)23-14-8-3-2-4-9-14/h2-4,8-11,13H,5-7,12H2,1H3,(H,18,19,22)
InChIKeyGKJOHWJNKCXYML-UHFFFAOYSA-N
XLogP3.47
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

phenyl N-[6-[(2R)-2-methylpyrrolidin-1-yl]-3-pyridinyl]carbamate
CID 169322862
[6-[(2S)-2-methylpiperidin-1-yl]-3-pyridinyl] carbamate
CID 174191038
N-(3-methoxyphenyl)-4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazine-1-carboxamide
CID 122335713
1-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 121053393
3-(2-methylpiperidin-1-yl)-6-[4-(4-phenoxyphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 121053184
[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-naphthalen-2-ylmethanone
CID 121053897
N-[6-(2-methylpiperidin-1-yl)pyrimidin-4-yl]benzamide
CID 65389198
N-(4-ethoxyphenyl)-4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazine-1-carboxamide
CID 122335735
4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]-N-thiophen-2-ylpiperazine-1-carboxamide
CID 122335991
N-[6-(2,3-dihydroindol-1-yl)pyridazin-3-yl]cyclohexanecarboxamide
CID 113046028
2-(3-methylphenoxy)-1-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 122335790
N-(3,5-dimethylphenyl)-4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazine-1-carboxamide
CID 122335737

Frequently Asked Questions

What is the IUPAC name of phenyl N-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]carbamate?
The IUPAC name of phenyl N-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]carbamate (CID 170781349) is phenyl N-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]carbamate.
What is the SMILES notation for phenyl N-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]carbamate?
The canonical SMILES for phenyl N-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]carbamate is CC1CCCCN1c1ccc(NC(=O)Oc2ccccc2)nn1.
What is the InChIKey of phenyl N-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]carbamate?
The InChIKey is GKJOHWJNKCXYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-13-7-5-6-12-21(13)16-11-10-15(19-20-16)18-17(22)23-14-8-3-2-4-9-14/h2-4,8-11,13H,5-7,12H2,1H3,(H,18,19,22).
What are the key properties of phenyl N-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]carbamate?
phenyl N-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]carbamate has a molecular weight of 312.37 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]carbamate is sourced from PubChem (CID 170781349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).