6-(3,5-dimethylpiperidin-1-yl)-N-phenylpyridazine-3-carboxamide

C18H22N4O — CID 133313211

IUPAC6-(3,5-dimethylpiperidin-1-yl)-N-phenylpyridazine-3-carboxamide
SMILESCC1CC(C)CN(c2ccc(C(=O)Nc3ccccc3)nn2)C1
InChIInChI=1S/C18H22N4O/c1-13-10-14(2)12-22(11-13)17-9-8-16(20-21-17)18(23)19-15-6-4-3-5-7-15/h3-9,13-14H,10-12H2,1-2H3,(H,19,23)
InChIKeyNZWNGSUNOPESHX-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.21
Rot. Bonds3

About 6-(3,5-dimethylpiperidin-1-yl)-N-phenylpyridazine-3-carboxamide

6-(3,5-dimethylpiperidin-1-yl)-N-phenylpyridazine-3-carboxamide (PubChem CID 133313211) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 6-(3,5-dimethylpiperidin-1-yl)-N-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(3,5-dimethylpiperidin-1-yl)-N-phenylpyridazine-3-carboxamide
PubChem CID133313211
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name6-(3,5-dimethylpiperidin-1-yl)-N-phenylpyridazine-3-carboxamide
SMILESCC1CC(C)CN(c2ccc(C(=O)Nc3ccccc3)nn2)C1
InChIInChI=1S/C18H22N4O/c1-13-10-14(2)12-22(11-13)17-9-8-16(20-21-17)18(23)19-15-6-4-3-5-7-15/h3-9,13-14H,10-12H2,1-2H3,(H,19,23)
InChIKeyNZWNGSUNOPESHX-UHFFFAOYSA-N
XLogP3.21
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]pyridazine-3-carboxylic acid
CID 93324573
(3S,4S)-1-[6-(phenylcarbamoyl)pyridazin-3-yl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122063887
6-(3-methyl-4-oxopiperidin-1-yl)-N-phenylpyridazine-3-carboxamide
CID 133497494
1-[6-(phenylcarbamoyl)pyridazin-3-yl]piperidine-3-carboxylic acid
CID 122051199
6-morpholin-4-yl-N-phenylpyridazine-3-carboxamide
CID 109114518
6-(3-methylsulfonylpyrrolidin-1-yl)-N-phenylpyridazine-3-carboxamide
CID 136540496
6-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-phenylpyridazine-3-carboxamide
CID 133313221
6-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-N-phenylpyridazine-3-carboxamide
CID 133313984
6-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-phenylpyridazine-3-carboxamide
CID 133313205
N-(4-methylphenyl)-6-(4-methylpiperidin-1-yl)pyridazine-3-carboxamide
CID 109113214
6-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-phenylpyridazine-3-carboxamide
CID 133499682
6-(3-methylpiperidin-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridazine-3-carboxamide
CID 109125996

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylpiperidin-1-yl)-N-phenylpyridazine-3-carboxamide?
The IUPAC name of 6-(3,5-dimethylpiperidin-1-yl)-N-phenylpyridazine-3-carboxamide (CID 133313211) is 6-(3,5-dimethylpiperidin-1-yl)-N-phenylpyridazine-3-carboxamide.
What is the SMILES notation for 6-(3,5-dimethylpiperidin-1-yl)-N-phenylpyridazine-3-carboxamide?
The canonical SMILES for 6-(3,5-dimethylpiperidin-1-yl)-N-phenylpyridazine-3-carboxamide is CC1CC(C)CN(c2ccc(C(=O)Nc3ccccc3)nn2)C1.
What is the InChIKey of 6-(3,5-dimethylpiperidin-1-yl)-N-phenylpyridazine-3-carboxamide?
The InChIKey is NZWNGSUNOPESHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-13-10-14(2)12-22(11-13)17-9-8-16(20-21-17)18(23)19-15-6-4-3-5-7-15/h3-9,13-14H,10-12H2,1-2H3,(H,19,23).
What are the key properties of 6-(3,5-dimethylpiperidin-1-yl)-N-phenylpyridazine-3-carboxamide?
6-(3,5-dimethylpiperidin-1-yl)-N-phenylpyridazine-3-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylpiperidin-1-yl)-N-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 133313211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).