N-[1-(cyclohexylmethyl)piperidin-3-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

C17H28N4O2 — CID 45186564

IUPACN-[1-(cyclohexylmethyl)piperidin-3-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESO=C1CCC(C(=O)NC2CCCN(CC3CCCCC3)C2)=NN1
InChIInChI=1S/C17H28N4O2/c22-16-9-8-15(19-20-16)17(23)18-14-7-4-10-21(12-14)11-13-5-2-1-3-6-13/h13-14H,1-12H2,(H,18,23)(H,20,22)
InChIKeyZXPKRLLVFXMPNH-UHFFFAOYSA-N
MW320.44 g/mol
LogP1.41
Rot. Bonds4

About N-[1-(cyclohexylmethyl)piperidin-3-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

N-[1-(cyclohexylmethyl)piperidin-3-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 45186564) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is N-[1-(cyclohexylmethyl)piperidin-3-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(cyclohexylmethyl)piperidin-3-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID45186564
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC NameN-[1-(cyclohexylmethyl)piperidin-3-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESO=C1CCC(C(=O)NC2CCCN(CC3CCCCC3)C2)=NN1
InChIInChI=1S/C17H28N4O2/c22-16-9-8-15(19-20-16)17(23)18-14-7-4-10-21(12-14)11-13-5-2-1-3-6-13/h13-14H,1-12H2,(H,18,23)(H,20,22)
InChIKeyZXPKRLLVFXMPNH-UHFFFAOYSA-N
XLogP1.41
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-(cyclohexylmethyl)piperidin-3-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-cyclopentylethyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 60734317
N-[1-(cyclohexylmethyl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide
CID 171993172
N-[1-(cyclohexylmethyl)piperidin-3-yl]-5-methyl-1,3-oxazole-4-carboxamide
CID 45196321
N-[1-(cyclopentylmethyl)piperidin-3-yl]cyclopropanecarboxamide
CID 155975778
N-[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]-1-oxidopyridin-1-ium-4-carboxamide
CID 26407655
N-(4-methylcyclohexyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 4881394
N-[1-(cyclohexylmethyl)piperidin-3-yl]-2-methylfuran-3-carboxamide
CID 45178957
N-[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]-3-methylbenzamide
CID 25448585
N-(1-methyl-5-oxopyrrolidin-3-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 110745998
N-[1-(cyclohexylmethyl)piperidin-3-yl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 56702015
N-[3-(cyclopropylamino)-3-oxopropyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 79395899
N-(1-butylsulfonylpiperidin-4-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 110823113

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclohexylmethyl)piperidin-3-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[1-(cyclohexylmethyl)piperidin-3-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 45186564) is N-[1-(cyclohexylmethyl)piperidin-3-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[1-(cyclohexylmethyl)piperidin-3-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[1-(cyclohexylmethyl)piperidin-3-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is O=C1CCC(C(=O)NC2CCCN(CC3CCCCC3)C2)=NN1.
What is the InChIKey of N-[1-(cyclohexylmethyl)piperidin-3-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is ZXPKRLLVFXMPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c22-16-9-8-15(19-20-16)17(23)18-14-7-4-10-21(12-14)11-13-5-2-1-3-6-13/h13-14H,1-12H2,(H,18,23)(H,20,22).
What are the key properties of N-[1-(cyclohexylmethyl)piperidin-3-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
N-[1-(cyclohexylmethyl)piperidin-3-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 320.44 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclohexylmethyl)piperidin-3-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 45186564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).