N-[1-(2-fluoro-6-methyl-4-pyridinyl)-3,3-diphenylpropylidene]hydroxylamine

C21H19FN2O — CID 154041459

IUPACN-[1-(2-fluoro-6-methyl-4-pyridinyl)-3,3-diphenylpropylidene]hydroxylamine
SMILESCc1cc(C(CC(c2ccccc2)c2ccccc2)=NO)cc(F)n1
InChIInChI=1S/C21H19FN2O/c1-15-12-18(13-21(22)23-15)20(24-25)14-19(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-13,19,25H,14H2,1H3
InChIKeyNXMSNQAAMLPTEZ-UHFFFAOYSA-N
MW334.39 g/mol
LogP4.93
Rot. Bonds5

About N-[1-(2-fluoro-6-methyl-4-pyridinyl)-3,3-diphenylpropylidene]hydroxylamine

N-[1-(2-fluoro-6-methyl-4-pyridinyl)-3,3-diphenylpropylidene]hydroxylamine (PubChem CID 154041459) has the molecular formula C21H19FN2O and a molecular weight of 334.39 g/mol. Its IUPAC name is N-[1-(2-fluoro-6-methyl-4-pyridinyl)-3,3-diphenylpropylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-(2-fluoro-6-methyl-4-pyridinyl)-3,3-diphenylpropylidene]hydroxylamine
PubChem CID154041459
Molecular FormulaC21H19FN2O
Molecular Weight334.39 g/mol
Exact Mass334.15
IUPAC NameN-[1-(2-fluoro-6-methyl-4-pyridinyl)-3,3-diphenylpropylidene]hydroxylamine
SMILESCc1cc(C(CC(c2ccccc2)c2ccccc2)=NO)cc(F)n1
InChIInChI=1S/C21H19FN2O/c1-15-12-18(13-21(22)23-15)20(24-25)14-19(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-13,19,25H,14H2,1H3
InChIKeyNXMSNQAAMLPTEZ-UHFFFAOYSA-N
XLogP4.93
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[4-[(1R)-3-(2,6-dimethyl-4-pyridinyl)-3-hydroxyimino-1-(2-methylphenyl)propyl]phenyl]benzoic acid
CID 152775617
N-[1-(3,5-difluorophenyl)-3-(2-methylphenyl)-3-(4-pyrimidin-5-ylphenyl)propylidene]hydroxylamine
CID 76671564
(NZ)-N-[(5Z)-5-hydroxyimino-1,3,5-triphenylpentylidene]hydroxylamine
CID 74229627
4-[4-[(1S)-3-hydroxyimino-1-(2-methylphenyl)-3-(2-methyl-4-pyridinyl)propyl]phenyl]benzoic acid
CID 140573965
N-[3-(2-methylphenyl)-1-(2-methyl-4-pyridinyl)-3-(4-methylsulfonylphenyl)propylidene]hydroxylamine
CID 173039118
2-chloro-4-[4-[(3Z)-3-hydroxyimino-1-(2-methylphenyl)-3-(2-methyl-4-pyridinyl)propyl]phenyl]benzoic acid
CID 159290468
2-chloro-4-[4-[(1S)-1-(4-chloro-2-fluorophenyl)-3-hydroxyimino-3-(2-methyl-4-pyridinyl)propyl]phenyl]benzoic acid
CID 173039078
N'-hydroxy-2-methyl-6-(1-phenylethoxy)pyridine-4-carboximidamide
CID 137013719
N-(2-hydroxyethyl)-4-[(1R)-3-hydroxyimino-1-(2-methylphenyl)-3-(2-methyl-4-pyridinyl)propyl]benzamide
CID 154041480
N-(2-hydroxyethyl)-4-[3-hydroxyimino-1-(2-methylphenyl)-3-(2-methyl-4-pyridinyl)propyl]-N-methylbenzamide
CID 173039080
1-(4,6-dimethylpyrimidin-2-yl)-2-(2-phenylpropyl)guanidine
CID 78298572
1-(4,6-dimethylpyrimidin-2-yl)-2-[(1S)-1-phenylethyl]guanidine
CID 6850937

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluoro-6-methyl-4-pyridinyl)-3,3-diphenylpropylidene]hydroxylamine?
The IUPAC name of N-[1-(2-fluoro-6-methyl-4-pyridinyl)-3,3-diphenylpropylidene]hydroxylamine (CID 154041459) is N-[1-(2-fluoro-6-methyl-4-pyridinyl)-3,3-diphenylpropylidene]hydroxylamine.
What is the SMILES notation for N-[1-(2-fluoro-6-methyl-4-pyridinyl)-3,3-diphenylpropylidene]hydroxylamine?
The canonical SMILES for N-[1-(2-fluoro-6-methyl-4-pyridinyl)-3,3-diphenylpropylidene]hydroxylamine is Cc1cc(C(CC(c2ccccc2)c2ccccc2)=NO)cc(F)n1.
What is the InChIKey of N-[1-(2-fluoro-6-methyl-4-pyridinyl)-3,3-diphenylpropylidene]hydroxylamine?
The InChIKey is NXMSNQAAMLPTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O/c1-15-12-18(13-21(22)23-15)20(24-25)14-19(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-13,19,25H,14H2,1H3.
What are the key properties of N-[1-(2-fluoro-6-methyl-4-pyridinyl)-3,3-diphenylpropylidene]hydroxylamine?
N-[1-(2-fluoro-6-methyl-4-pyridinyl)-3,3-diphenylpropylidene]hydroxylamine has a molecular weight of 334.39 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluoro-6-methyl-4-pyridinyl)-3,3-diphenylpropylidene]hydroxylamine is sourced from PubChem (CID 154041459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).