N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]-6-oxo-1H-pyridazine-3-carboxamide

C19H23N3O3 — CID 71935987

IUPACN-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCC1CCCC(OCc2cccc(NC(=O)c3ccc(=O)[nH]n3)c2)C1
InChIInChI=1S/C19H23N3O3/c1-13-4-2-7-16(10-13)25-12-14-5-3-6-15(11-14)20-19(24)17-8-9-18(23)22-21-17/h3,5-6,8-9,11,13,16H,2,4,7,10,12H2,1H3,(H,20,24)(H,22,23)
InChIKeyRCSPIEASMFFOAB-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.12
Rot. Bonds5

About N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]-6-oxo-1H-pyridazine-3-carboxamide

N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 71935987) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID71935987
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC NameN-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCC1CCCC(OCc2cccc(NC(=O)c3ccc(=O)[nH]n3)c2)C1
InChIInChI=1S/C19H23N3O3/c1-13-4-2-7-16(10-13)25-12-14-5-3-6-15(11-14)20-19(24)17-8-9-18(23)22-21-17/h3,5-6,8-9,11,13,16H,2,4,7,10,12H2,1H3,(H,20,24)(H,22,23)
InChIKeyRCSPIEASMFFOAB-UHFFFAOYSA-N
XLogP3.12
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[3-[[(1R,3R)-3-methylcyclohexyl]oxymethyl]phenyl]-6-oxo-1H-pyridine-3-carboxamide
CID 95247950
5-methyl-N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]-4-nitro-1H-pyrazole-3-carboxamide
CID 60614214
2-hydroxy-N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]acetamide
CID 75437260
N-(3-ethylphenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 32736896
2-(cyclopropylmethylamino)-N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]acetamide
CID 119754463
N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]azepane-1-carboxamide
CID 71883147
2-tert-butylsulfanyl-N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]acetamide
CID 60599967
N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]piperidine-3-carboxamide;hydrochloride
CID 119306626
4-amino-N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]pentanamide;hydrochloride
CID 120561478
N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]-N'-(1-pyridin-4-ylethyl)oxamide
CID 86864516
1-(1H-imidazol-2-ylmethyl)-3-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]urea
CID 75438829
N-[3-(hydroxymethyl)phenyl]-2-[(1S,3R)-3-methylcyclohexyl]oxyacetamide
CID 97249076

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]-6-oxo-1H-pyridazine-3-carboxamide (CID 71935987) is N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]-6-oxo-1H-pyridazine-3-carboxamide is CC1CCCC(OCc2cccc(NC(=O)c3ccc(=O)[nH]n3)c2)C1.
What is the InChIKey of N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is RCSPIEASMFFOAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-13-4-2-7-16(10-13)25-12-14-5-3-6-15(11-14)20-19(24)17-8-9-18(23)22-21-17/h3,5-6,8-9,11,13,16H,2,4,7,10,12H2,1H3,(H,20,24)(H,22,23).
What are the key properties of N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]-6-oxo-1H-pyridazine-3-carboxamide?
N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 71935987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).