N-[cyano(cyclohexyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

C13H18N4O2 — CID 103727953

IUPACN-[cyano(cyclohexyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESN#CC(NC(=O)C1=NNC(=O)CC1)C1CCCCC1
InChIInChI=1S/C13H18N4O2/c14-8-11(9-4-2-1-3-5-9)15-13(19)10-6-7-12(18)17-16-10/h9,11H,1-7H2,(H,15,19)(H,17,18)
InChIKeyJOYGSUBYUZRYGO-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.84
Rot. Bonds3

About N-[cyano(cyclohexyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

N-[cyano(cyclohexyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 103727953) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-[cyano(cyclohexyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[cyano(cyclohexyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID103727953
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC NameN-[cyano(cyclohexyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESN#CC(NC(=O)C1=NNC(=O)CC1)C1CCCCC1
InChIInChI=1S/C13H18N4O2/c14-8-11(9-4-2-1-3-5-9)15-13(19)10-6-7-12(18)17-16-10/h9,11H,1-7H2,(H,15,19)(H,17,18)
InChIKeyJOYGSUBYUZRYGO-UHFFFAOYSA-N
XLogP0.84
TPSA94.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[cyano-(4-methylphenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 110664185
N-[cyano(cyclohexyl)methyl]pyridazine-4-carboxamide
CID 112702176
2-bromo-N-[cyano(cyclohexyl)methyl]benzamide
CID 61124389
6-oxo-N-[1-(oxolan-2-yl)ethyl]-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 43430538
6-oxo-N-[(1S)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 94183034
N-(2-cyclopentylethyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 60734317
N-(4-methylcyclohexyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 4881394
3-chloro-N-[cyano(cyclohexyl)methyl]benzamide
CID 61119808
methyl N-[cyano(cyclohexyl)methyl]carbamate
CID 61124825
N-[cyano(cyclohexyl)methyl]-4-methyl-1,3-oxazole-5-carboxamide
CID 79676947
N-[cyano(cyclohexyl)methyl]-6-fluoropyridine-2-carboxamide
CID 103846977
N-[cyano(cyclohexyl)methyl]-1-methylpyrazole-3-carboxamide
CID 103727982

Frequently Asked Questions

What is the IUPAC name of N-[cyano(cyclohexyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[cyano(cyclohexyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 103727953) is N-[cyano(cyclohexyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[cyano(cyclohexyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[cyano(cyclohexyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is N#CC(NC(=O)C1=NNC(=O)CC1)C1CCCCC1.
What is the InChIKey of N-[cyano(cyclohexyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is JOYGSUBYUZRYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c14-8-11(9-4-2-1-3-5-9)15-13(19)10-6-7-12(18)17-16-10/h9,11H,1-7H2,(H,15,19)(H,17,18).
What are the key properties of N-[cyano(cyclohexyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
N-[cyano(cyclohexyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 262.31 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyano(cyclohexyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 103727953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).