N-[4-(3-fluorophenyl)-4-hydroxycyclohexyl]-4-oxo-1H-pyridazine-5-carboxamide

C17H18FN3O3 — CID 154867887

IUPACN-[4-(3-fluorophenyl)-4-hydroxycyclohexyl]-4-oxo-1H-pyridazine-5-carboxamide
SMILESO=C(NC1CCC(O)(c2cccc(F)c2)CC1)c1c[nH]ncc1=O
InChIInChI=1S/C17H18FN3O3/c18-12-3-1-2-11(8-12)17(24)6-4-13(5-7-17)21-16(23)14-9-19-20-10-15(14)22/h1-3,8-10,13,24H,4-7H2,(H,19,22)(H,21,23)
InChIKeyYNVAUMTZTWMFFM-UHFFFAOYSA-N
MW331.35 g/mol
LogP1.47
Rot. Bonds3

About N-[4-(3-fluorophenyl)-4-hydroxycyclohexyl]-4-oxo-1H-pyridazine-5-carboxamide

N-[4-(3-fluorophenyl)-4-hydroxycyclohexyl]-4-oxo-1H-pyridazine-5-carboxamide (PubChem CID 154867887) has the molecular formula C17H18FN3O3 and a molecular weight of 331.35 g/mol. Its IUPAC name is N-[4-(3-fluorophenyl)-4-hydroxycyclohexyl]-4-oxo-1H-pyridazine-5-carboxamide.

Molecular Properties

Compound NameN-[4-(3-fluorophenyl)-4-hydroxycyclohexyl]-4-oxo-1H-pyridazine-5-carboxamide
PubChem CID154867887
Molecular FormulaC17H18FN3O3
Molecular Weight331.35 g/mol
Exact Mass331.13
IUPAC NameN-[4-(3-fluorophenyl)-4-hydroxycyclohexyl]-4-oxo-1H-pyridazine-5-carboxamide
SMILESO=C(NC1CCC(O)(c2cccc(F)c2)CC1)c1c[nH]ncc1=O
InChIInChI=1S/C17H18FN3O3/c18-12-3-1-2-11(8-12)17(24)6-4-13(5-7-17)21-16(23)14-9-19-20-10-15(14)22/h1-3,8-10,13,24H,4-7H2,(H,19,22)(H,21,23)
InChIKeyYNVAUMTZTWMFFM-UHFFFAOYSA-N
XLogP1.47
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[4-(3-fluorophenyl)-4-hydroxycyclohexyl]-2-(4-phenylphenyl)acetamide
CID 155968265
N-[4-(3-fluorophenyl)-4-hydroxycyclohexyl]-1-prop-2-enoylpiperidine-3-carboxamide
CID 166416109
N-[4-(dimethylamino)-4-(3-fluorophenyl)cyclohexyl]-2-phenoxybenzamide
CID 11669193
N-[4-(dimethylamino)-4-(3-fluorophenyl)cyclohexyl]-2-(1H-indol-3-yl)-2-oxoacetamide
CID 11711207
1-(3-fluorophenyl)-3-methylcyclopentan-1-ol
CID 64516449
1-cyclopropyl-3-[1-(3-fluorophenyl)cyclopentyl]urea
CID 110469915
2-chloro-N-cyclopropyl-5-(1H-pyrazol-4-yl)benzamide
CID 129283620
3-fluoro-N-(4-hydroxy-4-pyridin-3-ylcyclohexyl)-4-pyrrol-1-ylbenzamide
CID 126773932
N-cyclobutyl-5-[2-(3-fluorophenyl)ethynyl]pyridine-2-carboxamide
CID 53384850
N-[(3aR,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-4-oxo-1H-pyridazine-5-carboxamide
CID 154807672
N-cyclopropyl-4-fluoro-2-methoxybenzamide
CID 162421278
1-(3-fluorophenyl)-N-(4-hydroxycyclohexyl)cyclobutane-1-carboxamide
CID 110884708

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-fluorophenyl)-4-hydroxycyclohexyl]-4-oxo-1H-pyridazine-5-carboxamide?
The IUPAC name of N-[4-(3-fluorophenyl)-4-hydroxycyclohexyl]-4-oxo-1H-pyridazine-5-carboxamide (CID 154867887) is N-[4-(3-fluorophenyl)-4-hydroxycyclohexyl]-4-oxo-1H-pyridazine-5-carboxamide.
What is the SMILES notation for N-[4-(3-fluorophenyl)-4-hydroxycyclohexyl]-4-oxo-1H-pyridazine-5-carboxamide?
The canonical SMILES for N-[4-(3-fluorophenyl)-4-hydroxycyclohexyl]-4-oxo-1H-pyridazine-5-carboxamide is O=C(NC1CCC(O)(c2cccc(F)c2)CC1)c1c[nH]ncc1=O.
What is the InChIKey of N-[4-(3-fluorophenyl)-4-hydroxycyclohexyl]-4-oxo-1H-pyridazine-5-carboxamide?
The InChIKey is YNVAUMTZTWMFFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O3/c18-12-3-1-2-11(8-12)17(24)6-4-13(5-7-17)21-16(23)14-9-19-20-10-15(14)22/h1-3,8-10,13,24H,4-7H2,(H,19,22)(H,21,23).
What are the key properties of N-[4-(3-fluorophenyl)-4-hydroxycyclohexyl]-4-oxo-1H-pyridazine-5-carboxamide?
N-[4-(3-fluorophenyl)-4-hydroxycyclohexyl]-4-oxo-1H-pyridazine-5-carboxamide has a molecular weight of 331.35 g/mol, XLogP of 1.47, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-fluorophenyl)-4-hydroxycyclohexyl]-4-oxo-1H-pyridazine-5-carboxamide is sourced from PubChem (CID 154867887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).