N-methyl-1-(6-methylpyridazin-3-yl)-N-phenylpiperidine-4-carboxamide

C18H22N4O — CID 121118902

IUPACN-methyl-1-(6-methylpyridazin-3-yl)-N-phenylpiperidine-4-carboxamide
SMILESCc1ccc(N2CCC(C(=O)N(C)c3ccccc3)CC2)nn1
InChIInChI=1S/C18H22N4O/c1-14-8-9-17(20-19-14)22-12-10-15(11-13-22)18(23)21(2)16-6-4-3-5-7-16/h3-9,15H,10-13H2,1-2H3
InChIKeyFVKQRGXLKOLAMM-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.66
Rot. Bonds3

About N-methyl-1-(6-methylpyridazin-3-yl)-N-phenylpiperidine-4-carboxamide

N-methyl-1-(6-methylpyridazin-3-yl)-N-phenylpiperidine-4-carboxamide (PubChem CID 121118902) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is N-methyl-1-(6-methylpyridazin-3-yl)-N-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-1-(6-methylpyridazin-3-yl)-N-phenylpiperidine-4-carboxamide
PubChem CID121118902
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC NameN-methyl-1-(6-methylpyridazin-3-yl)-N-phenylpiperidine-4-carboxamide
SMILESCc1ccc(N2CCC(C(=O)N(C)c3ccccc3)CC2)nn1
InChIInChI=1S/C18H22N4O/c1-14-8-9-17(20-19-14)22-12-10-15(11-13-22)18(23)21(2)16-6-4-3-5-7-16/h3-9,15H,10-13H2,1-2H3
InChIKeyFVKQRGXLKOLAMM-UHFFFAOYSA-N
XLogP2.66
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-methyl-N-phenylpyrrolidine-3-carboxamide
CID 124886900
4-[methyl(phenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 55237916
1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-ethyl-N-phenylpiperidine-4-carboxamide
CID 90514309
N-methyl-N-phenyl-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 109111797
N-butyl-N-(3-methylphenyl)-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide
CID 121119096
N-methyl-N-phenyl-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 90514486
N-benzyl-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-phenylpiperidine-4-carboxamide
CID 90514300
1-[6-(4-methoxyphenyl)pyrimidin-4-yl]-N-methyl-N-phenylpiperidine-4-carboxamide
CID 90519567
1-(6-imidazol-1-ylpyrimidin-4-yl)-N-methyl-N-phenylpiperidine-4-carboxamide
CID 90520358
3-methyl-6-(4-prop-1-en-2-ylpiperidin-1-yl)pyridazine
CID 89276627
N-methyl-N-phenyl-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 121070904
cyclopropyl-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]methanone
CID 110727399

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(6-methylpyridazin-3-yl)-N-phenylpiperidine-4-carboxamide?
The IUPAC name of N-methyl-1-(6-methylpyridazin-3-yl)-N-phenylpiperidine-4-carboxamide (CID 121118902) is N-methyl-1-(6-methylpyridazin-3-yl)-N-phenylpiperidine-4-carboxamide.
What is the SMILES notation for N-methyl-1-(6-methylpyridazin-3-yl)-N-phenylpiperidine-4-carboxamide?
The canonical SMILES for N-methyl-1-(6-methylpyridazin-3-yl)-N-phenylpiperidine-4-carboxamide is Cc1ccc(N2CCC(C(=O)N(C)c3ccccc3)CC2)nn1.
What is the InChIKey of N-methyl-1-(6-methylpyridazin-3-yl)-N-phenylpiperidine-4-carboxamide?
The InChIKey is FVKQRGXLKOLAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-14-8-9-17(20-19-14)22-12-10-15(11-13-22)18(23)21(2)16-6-4-3-5-7-16/h3-9,15H,10-13H2,1-2H3.
What are the key properties of N-methyl-1-(6-methylpyridazin-3-yl)-N-phenylpiperidine-4-carboxamide?
N-methyl-1-(6-methylpyridazin-3-yl)-N-phenylpiperidine-4-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(6-methylpyridazin-3-yl)-N-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 121118902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).