6-(3-methyl-4-oxopiperidin-1-yl)-N-phenylpyridazine-3-carboxamide

C17H18N4O2 — CID 133497494

IUPAC6-(3-methyl-4-oxopiperidin-1-yl)-N-phenylpyridazine-3-carboxamide
SMILESCC1CN(c2ccc(C(=O)Nc3ccccc3)nn2)CCC1=O
InChIInChI=1S/C17H18N4O2/c1-12-11-21(10-9-15(12)22)16-8-7-14(19-20-16)17(23)18-13-5-3-2-4-6-13/h2-8,12H,9-11H2,1H3,(H,18,23)
InChIKeyJEIPGPIPSHUJKT-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.14
Rot. Bonds3

About 6-(3-methyl-4-oxopiperidin-1-yl)-N-phenylpyridazine-3-carboxamide

6-(3-methyl-4-oxopiperidin-1-yl)-N-phenylpyridazine-3-carboxamide (PubChem CID 133497494) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 6-(3-methyl-4-oxopiperidin-1-yl)-N-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(3-methyl-4-oxopiperidin-1-yl)-N-phenylpyridazine-3-carboxamide
PubChem CID133497494
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name6-(3-methyl-4-oxopiperidin-1-yl)-N-phenylpyridazine-3-carboxamide
SMILESCC1CN(c2ccc(C(=O)Nc3ccccc3)nn2)CCC1=O
InChIInChI=1S/C17H18N4O2/c1-12-11-21(10-9-15(12)22)16-8-7-14(19-20-16)17(23)18-13-5-3-2-4-6-13/h2-8,12H,9-11H2,1H3,(H,18,23)
InChIKeyJEIPGPIPSHUJKT-UHFFFAOYSA-N
XLogP2.14
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3,5-dimethylpiperidin-1-yl)-N-phenylpyridazine-3-carboxamide
CID 133313211
1-[6-(phenylcarbamoyl)pyridazin-3-yl]piperidine-3-carboxylic acid
CID 122051199
6-(3-methylsulfonylpyrrolidin-1-yl)-N-phenylpyridazine-3-carboxamide
CID 136540496
6-morpholin-4-yl-N-phenylpyridazine-3-carboxamide
CID 109114518
(3S,4S)-1-[6-(phenylcarbamoyl)pyridazin-3-yl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122063887
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
6-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-phenylpyridazine-3-carboxamide
CID 133499682
6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-N-phenylpyridazine-3-carboxamide
CID 133363865
N-phenyl-6-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]pyridazine-3-carboxamide
CID 133313626
N-(4-methylphenyl)-6-(4-methylpiperidin-1-yl)pyridazine-3-carboxamide
CID 109113214

Frequently Asked Questions

What is the IUPAC name of 6-(3-methyl-4-oxopiperidin-1-yl)-N-phenylpyridazine-3-carboxamide?
The IUPAC name of 6-(3-methyl-4-oxopiperidin-1-yl)-N-phenylpyridazine-3-carboxamide (CID 133497494) is 6-(3-methyl-4-oxopiperidin-1-yl)-N-phenylpyridazine-3-carboxamide.
What is the SMILES notation for 6-(3-methyl-4-oxopiperidin-1-yl)-N-phenylpyridazine-3-carboxamide?
The canonical SMILES for 6-(3-methyl-4-oxopiperidin-1-yl)-N-phenylpyridazine-3-carboxamide is CC1CN(c2ccc(C(=O)Nc3ccccc3)nn2)CCC1=O.
What is the InChIKey of 6-(3-methyl-4-oxopiperidin-1-yl)-N-phenylpyridazine-3-carboxamide?
The InChIKey is JEIPGPIPSHUJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-12-11-21(10-9-15(12)22)16-8-7-14(19-20-16)17(23)18-13-5-3-2-4-6-13/h2-8,12H,9-11H2,1H3,(H,18,23).
What are the key properties of 6-(3-methyl-4-oxopiperidin-1-yl)-N-phenylpyridazine-3-carboxamide?
6-(3-methyl-4-oxopiperidin-1-yl)-N-phenylpyridazine-3-carboxamide has a molecular weight of 310.36 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methyl-4-oxopiperidin-1-yl)-N-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 133497494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).