N-cyclohexyl-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide

C18H21N3O2 — CID 51237420

IUPACN-cyclohexyl-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NC2CCCCC2)nn1-c1ccccc1
InChIInChI=1S/C18H21N3O2/c1-13-12-16(22)17(18(23)19-14-8-4-2-5-9-14)20-21(13)15-10-6-3-7-11-15/h3,6-7,10-12,14H,2,4-5,8-9H2,1H3,(H,19,23)
InChIKeyXSXFJKLGCDCPCT-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.60
Rot. Bonds3

About N-cyclohexyl-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide

N-cyclohexyl-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide (PubChem CID 51237420) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is N-cyclohexyl-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
PubChem CID51237420
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC NameN-cyclohexyl-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NC2CCCCC2)nn1-c1ccccc1
InChIInChI=1S/C18H21N3O2/c1-13-12-16(22)17(18(23)19-14-8-4-2-5-9-14)20-21(13)15-10-6-3-7-11-15/h3,6-7,10-12,14H,2,4-5,8-9H2,1H3,(H,19,23)
InChIKeyXSXFJKLGCDCPCT-UHFFFAOYSA-N
XLogP2.60
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 9071191
1-(2-chlorophenyl)-N-cycloheptyl-6-methyl-4-oxopyridazine-3-carboxamide
CID 9082115
N-(cyclopentylmethyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 43067725
N-cycloheptyl-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 9268507
3-(azepane-1-carbonyl)-6-methyl-1-phenylpyridazin-4-one
CID 8869762
6-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)-4-oxo-1-phenylpyridazine-3-carboxamide
CID 51238820
6-methyl-4-oxo-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-1-phenylpyridazine-3-carboxamide
CID 35240540
6-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]-4-oxo-1-phenylpyridazine-3-carboxamide
CID 35417792
6-methyl-N-(4-methylpiperazin-1-yl)-4-oxo-1-phenylpyridazine-3-carboxamide
CID 9075242
3-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-6-methyl-1-phenylpyridazin-4-one
CID 97067476
N-(3-aminopropyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide;hydrochloride
CID 119406647
N-(2-hydroxy-4-methylphenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 51073720

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide?
The IUPAC name of N-cyclohexyl-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide (CID 51237420) is N-cyclohexyl-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide is Cc1cc(=O)c(C(=O)NC2CCCCC2)nn1-c1ccccc1.
What is the InChIKey of N-cyclohexyl-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide?
The InChIKey is XSXFJKLGCDCPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-13-12-16(22)17(18(23)19-14-8-4-2-5-9-14)20-21(13)15-10-6-3-7-11-15/h3,6-7,10-12,14H,2,4-5,8-9H2,1H3,(H,19,23).
What are the key properties of N-cyclohexyl-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide?
N-cyclohexyl-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide has a molecular weight of 311.38 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 51237420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).