N-[2-(aminomethyl)cyclohexyl]-1-benzyl-6-oxopyridazine-3-carboxamide

C19H24N4O2 — CID 119612211

IUPACN-[2-(aminomethyl)cyclohexyl]-1-benzyl-6-oxopyridazine-3-carboxamide
SMILESNCC1CCCCC1NC(=O)c1ccc(=O)n(Cc2ccccc2)n1
InChIInChI=1S/C19H24N4O2/c20-12-15-8-4-5-9-16(15)21-19(25)17-10-11-18(24)23(22-17)13-14-6-2-1-3-7-14/h1-3,6-7,10-11,15-16H,4-5,8-9,12-13,20H2,(H,21,25)
InChIKeySPOISBYDELUGLJ-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.54
Rot. Bonds5

About N-[2-(aminomethyl)cyclohexyl]-1-benzyl-6-oxopyridazine-3-carboxamide

N-[2-(aminomethyl)cyclohexyl]-1-benzyl-6-oxopyridazine-3-carboxamide (PubChem CID 119612211) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-1-benzyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-1-benzyl-6-oxopyridazine-3-carboxamide
PubChem CID119612211
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-1-benzyl-6-oxopyridazine-3-carboxamide
SMILESNCC1CCCCC1NC(=O)c1ccc(=O)n(Cc2ccccc2)n1
InChIInChI=1S/C19H24N4O2/c20-12-15-8-4-5-9-16(15)21-19(25)17-10-11-18(24)23(22-17)13-14-6-2-1-3-7-14/h1-3,6-7,10-11,15-16H,4-5,8-9,12-13,20H2,(H,21,25)
InChIKeySPOISBYDELUGLJ-UHFFFAOYSA-N
XLogP1.54
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

cis-(1S,3R)-3-[(1-benzyl-6-oxopyridazine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120676410
1-benzyl-N-(2-cyclopentyl-2-hydroxyethyl)-6-oxopyridazine-3-carboxamide
CID 111426248
1-benzyl-N-(3-cyclopentylpropyl)-6-oxopyridazine-3-carboxamide
CID 38857490
[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 1-benzyl-6-oxopyridazine-3-carboxylate
CID 29244219
N-(2-amino-2-methylpropyl)-1-benzyl-6-oxopyridazine-3-carboxamide;hydrochloride
CID 119630257
1-benzyl-N-cycloheptyl-N-methyl-6-oxopyridazine-3-carboxamide
CID 51287190
N-(2-amino-2-oxo-1-phenylethyl)-1-benzyl-6-oxopyridazine-3-carboxamide
CID 51308720
N-[2-(aminomethyl)cyclohexyl]-2-benzyl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119609820
N-[2-(aminomethyl)cyclohexyl]-2-benzyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride
CID 119609641
N-[(1S,2R)-2-(aminomethyl)cyclopentyl]benzamide
CID 94903786
1-benzyl-N-(1-cyclohexylbenzimidazol-2-yl)-6-oxopyridazine-3-carboxamide
CID 47048608
2-benzyl-6-(2-methylpiperidine-1-carbonyl)pyridazin-3-one
CID 51145418

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-1-benzyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-1-benzyl-6-oxopyridazine-3-carboxamide (CID 119612211) is N-[2-(aminomethyl)cyclohexyl]-1-benzyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-1-benzyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-1-benzyl-6-oxopyridazine-3-carboxamide is NCC1CCCCC1NC(=O)c1ccc(=O)n(Cc2ccccc2)n1.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-1-benzyl-6-oxopyridazine-3-carboxamide?
The InChIKey is SPOISBYDELUGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c20-12-15-8-4-5-9-16(15)21-19(25)17-10-11-18(24)23(22-17)13-14-6-2-1-3-7-14/h1-3,6-7,10-11,15-16H,4-5,8-9,12-13,20H2,(H,21,25).
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-1-benzyl-6-oxopyridazine-3-carboxamide?
N-[2-(aminomethyl)cyclohexyl]-1-benzyl-6-oxopyridazine-3-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-1-benzyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 119612211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).