2-(2-fluoro-3-methylphenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide

C16H16FN3O — CID 107658503

IUPAC2-(2-fluoro-3-methylphenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1cc2c(nc1Oc1cccc(C)c1F)CCC2
InChIInChI=1S/C16H16FN3O/c1-9-4-2-7-13(14(9)17)21-16-11(15(18)19)8-10-5-3-6-12(10)20-16/h2,4,7-8H,3,5-6H2,1H3,(H3,18,19)
InChIKeyVDWQIAUIWYLQFA-UHFFFAOYSA-N
MW285.32 g/mol
LogP3.09
Rot. Bonds3

About 2-(2-fluoro-3-methylphenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide

2-(2-fluoro-3-methylphenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide (PubChem CID 107658503) has the molecular formula C16H16FN3O and a molecular weight of 285.32 g/mol. Its IUPAC name is 2-(2-fluoro-3-methylphenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide.

Molecular Properties

Compound Name2-(2-fluoro-3-methylphenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
PubChem CID107658503
Molecular FormulaC16H16FN3O
Molecular Weight285.32 g/mol
Exact Mass285.13
IUPAC Name2-(2-fluoro-3-methylphenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1cc2c(nc1Oc1cccc(C)c1F)CCC2
InChIInChI=1S/C16H16FN3O/c1-9-4-2-7-13(14(9)17)21-16-11(15(18)19)8-10-5-3-6-12(10)20-16/h2,4,7-8H,3,5-6H2,1H3,(H3,18,19)
InChIKeyVDWQIAUIWYLQFA-UHFFFAOYSA-N
XLogP3.09
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(5-chloro-3-pyridinyl)oxy]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
CID 64601771
2-(cyclopentylmethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
CID 66323708
2-(1-ethoxypropan-2-yloxy)-5,6,7,8-tetrahydroquinoline-3-carboximidamide
CID 103488627
3-fluoro-4-(2-fluoro-3-methylphenoxy)benzenecarboximidamide
CID 107658516
2-(2-ethylhexoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
CID 63523815
2-[2-(2-methylpropoxy)ethoxy]-5,6,7,8-tetrahydroquinoline-3-carboximidamide
CID 106447803
2-(2-methylphenoxy)-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 79875024
2-(2-methylsulfanylphenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 63649585
2-(3-methylpyrazol-1-yl)-5,6,7,8-tetrahydroquinoline-3-carboximidamide
CID 62488498
2-[methyl(2-methylbutan-2-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
CID 63981692
2-(2,3-difluorophenoxy)-6-methylpyrimidine-4-carboximidamide
CID 107551122
2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
CID 106922808

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-3-methylphenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide?
The IUPAC name of 2-(2-fluoro-3-methylphenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide (CID 107658503) is 2-(2-fluoro-3-methylphenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide.
What is the SMILES notation for 2-(2-fluoro-3-methylphenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide?
The canonical SMILES for 2-(2-fluoro-3-methylphenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide is [H]/N=C(\N)c1cc2c(nc1Oc1cccc(C)c1F)CCC2.
What is the InChIKey of 2-(2-fluoro-3-methylphenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide?
The InChIKey is VDWQIAUIWYLQFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O/c1-9-4-2-7-13(14(9)17)21-16-11(15(18)19)8-10-5-3-6-12(10)20-16/h2,4,7-8H,3,5-6H2,1H3,(H3,18,19).
What are the key properties of 2-(2-fluoro-3-methylphenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide?
2-(2-fluoro-3-methylphenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide has a molecular weight of 285.32 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-3-methylphenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide is sourced from PubChem (CID 107658503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).