N'-[(4-bromo-2-fluorophenyl)methoxy]-2-piperidin-1-ylpyridine-3-carboximidamide

C18H20BrFN4O — CID 60588737

IUPACN'-[(4-bromo-2-fluorophenyl)methoxy]-2-piperidin-1-ylpyridine-3-carboximidamide
SMILESN/C(=N/OCc1ccc(Br)cc1F)c1cccnc1N1CCCCC1
InChIInChI=1S/C18H20BrFN4O/c19-14-7-6-13(16(20)11-14)12-25-23-17(21)15-5-4-8-22-18(15)24-9-2-1-3-10-24/h4-8,11H,1-3,9-10,12H2,(H2,21,23)
InChIKeyNNZWIDOACVWLKN-UHFFFAOYSA-N
MW407.29 g/mol
LogP3.81
Rot. Bonds5

About N'-[(4-bromo-2-fluorophenyl)methoxy]-2-piperidin-1-ylpyridine-3-carboximidamide

N'-[(4-bromo-2-fluorophenyl)methoxy]-2-piperidin-1-ylpyridine-3-carboximidamide (PubChem CID 60588737) has the molecular formula C18H20BrFN4O and a molecular weight of 407.29 g/mol. Its IUPAC name is N'-[(4-bromo-2-fluorophenyl)methoxy]-2-piperidin-1-ylpyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-[(4-bromo-2-fluorophenyl)methoxy]-2-piperidin-1-ylpyridine-3-carboximidamide
PubChem CID60588737
Molecular FormulaC18H20BrFN4O
Molecular Weight407.29 g/mol
Exact Mass406.08
IUPAC NameN'-[(4-bromo-2-fluorophenyl)methoxy]-2-piperidin-1-ylpyridine-3-carboximidamide
SMILESN/C(=N/OCc1ccc(Br)cc1F)c1cccnc1N1CCCCC1
InChIInChI=1S/C18H20BrFN4O/c19-14-7-6-13(16(20)11-14)12-25-23-17(21)15-5-4-8-22-18(15)24-9-2-1-3-10-24/h4-8,11H,1-3,9-10,12H2,(H2,21,23)
InChIKeyNNZWIDOACVWLKN-UHFFFAOYSA-N
XLogP3.81
TPSA63.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.29
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[(2-cyanophenyl)methoxy]-2-piperidin-1-ylpyridine-3-carboximidamide
CID 78905688
N'-[(2-methyl-1,3-thiazol-5-yl)methoxy]-2-piperidin-1-ylpyridine-3-carboximidamide
CID 97009230
(4-bromo-2-fluorophenyl) 2-pyrrolidin-1-ylpyridine-3-carboxylate
CID 9114502
N'-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methoxy]-2-piperidin-1-ylpyridine-3-carboximidamide
CID 134007979
2-[4-[3-(4-bromo-2-fluorophenyl)propanoyl]piperazin-1-yl]pyridine-3-carboxamide
CID 60622967
methyl 5-[[[amino-(2-piperidin-1-yl-3-pyridinyl)methylidene]amino]oxymethyl]furan-2-carboxylate
CID 76878083
2-[[amino-(2-piperidin-1-yl-3-pyridinyl)methylidene]amino]oxy-N-(3-methylbutan-2-yl)acetamide
CID 75264379
2-[(Z)-[amino-(2-piperidin-1-yl-3-pyridinyl)methylidene]amino]oxy-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 52534597
2-[(Z)-[amino-(2-piperidin-1-yl-3-pyridinyl)methylidene]amino]oxy-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 52534598
3-[(4-bromo-2-fluorophenyl)methoxy]pyridin-2-amine
CID 43438660
2-[(4-bromo-2-fluorophenyl)methylsulfanyl]pyridine-3-carboxylic acid
CID 43385187
2-[(4-bromo-2-fluorophenyl)methoxy]benzamide
CID 7640045

Frequently Asked Questions

What is the IUPAC name of N'-[(4-bromo-2-fluorophenyl)methoxy]-2-piperidin-1-ylpyridine-3-carboximidamide?
The IUPAC name of N'-[(4-bromo-2-fluorophenyl)methoxy]-2-piperidin-1-ylpyridine-3-carboximidamide (CID 60588737) is N'-[(4-bromo-2-fluorophenyl)methoxy]-2-piperidin-1-ylpyridine-3-carboximidamide.
What is the SMILES notation for N'-[(4-bromo-2-fluorophenyl)methoxy]-2-piperidin-1-ylpyridine-3-carboximidamide?
The canonical SMILES for N'-[(4-bromo-2-fluorophenyl)methoxy]-2-piperidin-1-ylpyridine-3-carboximidamide is N/C(=N/OCc1ccc(Br)cc1F)c1cccnc1N1CCCCC1.
What is the InChIKey of N'-[(4-bromo-2-fluorophenyl)methoxy]-2-piperidin-1-ylpyridine-3-carboximidamide?
The InChIKey is NNZWIDOACVWLKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrFN4O/c19-14-7-6-13(16(20)11-14)12-25-23-17(21)15-5-4-8-22-18(15)24-9-2-1-3-10-24/h4-8,11H,1-3,9-10,12H2,(H2,21,23).
What are the key properties of N'-[(4-bromo-2-fluorophenyl)methoxy]-2-piperidin-1-ylpyridine-3-carboximidamide?
N'-[(4-bromo-2-fluorophenyl)methoxy]-2-piperidin-1-ylpyridine-3-carboximidamide has a molecular weight of 407.29 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-bromo-2-fluorophenyl)methoxy]-2-piperidin-1-ylpyridine-3-carboximidamide is sourced from PubChem (CID 60588737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).