6-[(3R)-3-(2-chlorophenoxy)piperidin-1-yl]-N-methylpyridazine-3-carboxamide

C17H19ClN4O2 — CID 99857965

IUPAC6-[(3R)-3-(2-chlorophenoxy)piperidin-1-yl]-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(N2CCC[C@@H](Oc3ccccc3Cl)C2)nn1
InChIInChI=1S/C17H19ClN4O2/c1-19-17(23)14-8-9-16(21-20-14)22-10-4-5-12(11-22)24-15-7-3-2-6-13(15)18/h2-3,6-9,12H,4-5,10-11H2,1H3,(H,19,23)/t12-/m1/s1
InChIKeyXQTQWYJDIGLYHR-GFCCVEGCSA-N
MW346.82 g/mol
LogP2.54
Rot. Bonds4

About 6-[(3R)-3-(2-chlorophenoxy)piperidin-1-yl]-N-methylpyridazine-3-carboxamide

6-[(3R)-3-(2-chlorophenoxy)piperidin-1-yl]-N-methylpyridazine-3-carboxamide (PubChem CID 99857965) has the molecular formula C17H19ClN4O2 and a molecular weight of 346.82 g/mol. Its IUPAC name is 6-[(3R)-3-(2-chlorophenoxy)piperidin-1-yl]-N-methylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[(3R)-3-(2-chlorophenoxy)piperidin-1-yl]-N-methylpyridazine-3-carboxamide
PubChem CID99857965
Molecular FormulaC17H19ClN4O2
Molecular Weight346.82 g/mol
Exact Mass346.12
IUPAC Name6-[(3R)-3-(2-chlorophenoxy)piperidin-1-yl]-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(N2CCC[C@@H](Oc3ccccc3Cl)C2)nn1
InChIInChI=1S/C17H19ClN4O2/c1-19-17(23)14-8-9-16(21-20-14)22-10-4-5-12(11-22)24-15-7-3-2-6-13(15)18/h2-3,6-9,12H,4-5,10-11H2,1H3,(H,19,23)/t12-/m1/s1
InChIKeyXQTQWYJDIGLYHR-GFCCVEGCSA-N
XLogP2.54
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(3S)-3-(2-chlorophenoxy)piperidin-1-yl]pyridazine-3-carboxamide
CID 99857964
6-[3-(2-amino-2-oxoethyl)piperidin-1-yl]-N-methylpyridazine-3-carboxamide
CID 133356029
N-methyl-6-(3-phenylpyrrolidin-1-yl)pyridazine-3-carboxamide
CID 133342994
N-methyl-6-[3-(propylcarbamoyl)piperidin-1-yl]pyridazine-3-carboxamide
CID 133343097
1-[6-(phenylcarbamoyl)pyridazin-3-yl]piperidine-3-carboxylic acid
CID 122051199
N-(2,3-dichlorophenyl)-6-(3-methylpiperidin-1-yl)pyridazine-3-carboxamide
CID 109126021
6-[3-(dimethylamino)pyrrolidin-1-yl]-N-methylpyridazine-3-carboxamide
CID 133329265
N-(2-ethoxyphenyl)-6-(3-methylpiperidin-1-yl)pyridazine-3-carboxamide
CID 109125972
N-(2-chlorophenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 109111816
N'-acetyl-6-[3-[2-(fluoromethyl)phenoxy]azetidin-1-yl]pyridazine-3-carbohydrazide
CID 70993647
N-methyl-6-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyridazine-3-carboxamide
CID 133339116
N-methyl-6-(2-methylthiomorpholin-4-yl)pyridazine-3-carboxamide
CID 133329365

Frequently Asked Questions

What is the IUPAC name of 6-[(3R)-3-(2-chlorophenoxy)piperidin-1-yl]-N-methylpyridazine-3-carboxamide?
The IUPAC name of 6-[(3R)-3-(2-chlorophenoxy)piperidin-1-yl]-N-methylpyridazine-3-carboxamide (CID 99857965) is 6-[(3R)-3-(2-chlorophenoxy)piperidin-1-yl]-N-methylpyridazine-3-carboxamide.
What is the SMILES notation for 6-[(3R)-3-(2-chlorophenoxy)piperidin-1-yl]-N-methylpyridazine-3-carboxamide?
The canonical SMILES for 6-[(3R)-3-(2-chlorophenoxy)piperidin-1-yl]-N-methylpyridazine-3-carboxamide is CNC(=O)c1ccc(N2CCC[C@@H](Oc3ccccc3Cl)C2)nn1.
What is the InChIKey of 6-[(3R)-3-(2-chlorophenoxy)piperidin-1-yl]-N-methylpyridazine-3-carboxamide?
The InChIKey is XQTQWYJDIGLYHR-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H19ClN4O2/c1-19-17(23)14-8-9-16(21-20-14)22-10-4-5-12(11-22)24-15-7-3-2-6-13(15)18/h2-3,6-9,12H,4-5,10-11H2,1H3,(H,19,23)/t12-/m1/s1.
What are the key properties of 6-[(3R)-3-(2-chlorophenoxy)piperidin-1-yl]-N-methylpyridazine-3-carboxamide?
6-[(3R)-3-(2-chlorophenoxy)piperidin-1-yl]-N-methylpyridazine-3-carboxamide has a molecular weight of 346.82 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R)-3-(2-chlorophenoxy)piperidin-1-yl]-N-methylpyridazine-3-carboxamide is sourced from PubChem (CID 99857965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).