N-(3-cyanophenyl)-4-[methyl(pyridazin-3-yl)amino]piperidine-1-carboxamide

C18H20N6O — CID 84599104

IUPACN-(3-cyanophenyl)-4-[methyl(pyridazin-3-yl)amino]piperidine-1-carboxamide
SMILESCN(c1cccnn1)C1CCN(C(=O)Nc2cccc(C#N)c2)CC1
InChIInChI=1S/C18H20N6O/c1-23(17-6-3-9-20-22-17)16-7-10-24(11-8-16)18(25)21-15-5-2-4-14(12-15)13-19/h2-6,9,12,16H,7-8,10-11H2,1H3,(H,21,25)
InChIKeyHQJAFRCDNZASMV-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.48
Rot. Bonds3

About N-(3-cyanophenyl)-4-[methyl(pyridazin-3-yl)amino]piperidine-1-carboxamide

N-(3-cyanophenyl)-4-[methyl(pyridazin-3-yl)amino]piperidine-1-carboxamide (PubChem CID 84599104) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is N-(3-cyanophenyl)-4-[methyl(pyridazin-3-yl)amino]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-4-[methyl(pyridazin-3-yl)amino]piperidine-1-carboxamide
PubChem CID84599104
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC NameN-(3-cyanophenyl)-4-[methyl(pyridazin-3-yl)amino]piperidine-1-carboxamide
SMILESCN(c1cccnn1)C1CCN(C(=O)Nc2cccc(C#N)c2)CC1
InChIInChI=1S/C18H20N6O/c1-23(17-6-3-9-20-22-17)16-7-10-24(11-8-16)18(25)21-15-5-2-4-14(12-15)13-19/h2-6,9,12,16H,7-8,10-11H2,1H3,(H,21,25)
InChIKeyHQJAFRCDNZASMV-UHFFFAOYSA-N
XLogP2.48
TPSA85.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-cyanophenyl)-4-(dimethylamino)azepane-1-carboxamide
CID 56900491
N-(3-cyanophenyl)-4-[2-(dimethylamino)ethyl]piperazine-1-carboxamide
CID 113105776
N-(3-cyanophenyl)-3-hydroxy-4-methylpiperidine-1-carboxamide
CID 103896286
(3S)-N-(3-cyanophenyl)-3-[[methyl(propyl)amino]methyl]pyrrolidine-1-carboxamide
CID 95783482
(3R,4R)-N-(3-cyanophenyl)-3-(dimethylamino)-4-methylsulfanylpyrrolidine-1-carboxamide
CID 97328470
N-(3-cyanophenyl)-4-[2-(diethylamino)ethoxy]piperidine-1-carboxamide
CID 75423322
(3R)-N-(3-cyanophenyl)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidine-1-carboxamide
CID 97193180
N-(3-cyanophenyl)-5-oxo-1,4-diazepane-1-carboxamide
CID 60969059
N-(3-cyanophenyl)-3,5-dimethylpiperazine-1-carboxamide
CID 63872709
N-(3-cyanophenyl)-4-[(2S)-1-methoxypropan-2-yl]piperazine-1-carboxamide
CID 95333968
[(2R)-2,3-dihydro-1-benzofuran-2-yl]-[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]methanone
CID 95324469
N-(3-cyanophenyl)-2-[3-(dimethylamino)pyrrolidin-1-yl]acetamide
CID 63164005

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-4-[methyl(pyridazin-3-yl)amino]piperidine-1-carboxamide?
The IUPAC name of N-(3-cyanophenyl)-4-[methyl(pyridazin-3-yl)amino]piperidine-1-carboxamide (CID 84599104) is N-(3-cyanophenyl)-4-[methyl(pyridazin-3-yl)amino]piperidine-1-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)-4-[methyl(pyridazin-3-yl)amino]piperidine-1-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)-4-[methyl(pyridazin-3-yl)amino]piperidine-1-carboxamide is CN(c1cccnn1)C1CCN(C(=O)Nc2cccc(C#N)c2)CC1.
What is the InChIKey of N-(3-cyanophenyl)-4-[methyl(pyridazin-3-yl)amino]piperidine-1-carboxamide?
The InChIKey is HQJAFRCDNZASMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c1-23(17-6-3-9-20-22-17)16-7-10-24(11-8-16)18(25)21-15-5-2-4-14(12-15)13-19/h2-6,9,12,16H,7-8,10-11H2,1H3,(H,21,25).
What are the key properties of N-(3-cyanophenyl)-4-[methyl(pyridazin-3-yl)amino]piperidine-1-carboxamide?
N-(3-cyanophenyl)-4-[methyl(pyridazin-3-yl)amino]piperidine-1-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-4-[methyl(pyridazin-3-yl)amino]piperidine-1-carboxamide is sourced from PubChem (CID 84599104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).