N-[4-(4-fluorophenyl)-3-pyridinyl]-6-oxaspiro[2.5]octane-2-carboxamide

C19H19FN2O2 — CID 154789112

IUPACN-[4-(4-fluorophenyl)-3-pyridinyl]-6-oxaspiro[2.5]octane-2-carboxamide
SMILESO=C(Nc1cnccc1-c1ccc(F)cc1)C1CC12CCOCC2
InChIInChI=1S/C19H19FN2O2/c20-14-3-1-13(2-4-14)15-5-8-21-12-17(15)22-18(23)16-11-19(16)6-9-24-10-7-19/h1-5,8,12,16H,6-7,9-11H2,(H,22,23)
InChIKeyKDEZVVZOJBINGG-UHFFFAOYSA-N
MW326.37 g/mol
LogP3.64
Rot. Bonds3

About N-[4-(4-fluorophenyl)-3-pyridinyl]-6-oxaspiro[2.5]octane-2-carboxamide

N-[4-(4-fluorophenyl)-3-pyridinyl]-6-oxaspiro[2.5]octane-2-carboxamide (PubChem CID 154789112) has the molecular formula C19H19FN2O2 and a molecular weight of 326.37 g/mol. Its IUPAC name is N-[4-(4-fluorophenyl)-3-pyridinyl]-6-oxaspiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenyl)-3-pyridinyl]-6-oxaspiro[2.5]octane-2-carboxamide
PubChem CID154789112
Molecular FormulaC19H19FN2O2
Molecular Weight326.37 g/mol
Exact Mass326.14
IUPAC NameN-[4-(4-fluorophenyl)-3-pyridinyl]-6-oxaspiro[2.5]octane-2-carboxamide
SMILESO=C(Nc1cnccc1-c1ccc(F)cc1)C1CC12CCOCC2
InChIInChI=1S/C19H19FN2O2/c20-14-3-1-13(2-4-14)15-5-8-21-12-17(15)22-18(23)16-11-19(16)6-9-24-10-7-19/h1-5,8,12,16H,6-7,9-11H2,(H,22,23)
InChIKeyKDEZVVZOJBINGG-UHFFFAOYSA-N
XLogP3.64
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(8-methylquinolin-5-yl)-6-oxaspiro[2.5]octane-2-carboxamide
CID 86769533
(2S,3S)-N-[4-(3-fluorophenyl)-3-pyridinyl]-3-methyl-1,4-dioxane-2-carboxamide
CID 154806044
2-[(2,2-difluorocyclopropanecarbonyl)amino]-N-(4-phenyl-3-pyridinyl)pyridine-4-carboxamide
CID 122583837
(2S,3S)-5-N-(4-fluorophenyl)-2-N-pyridin-3-yl-5-azaspiro[2.4]heptane-2,5-dicarboxamide
CID 97492534
5-N-(4-fluorophenyl)-2-N-pyridin-3-yl-5-azaspiro[2.4]heptane-2,5-dicarboxamide
CID 131646111
3-fluoropyridine;N-[1-(5-fluoro-3-pyridinyl)pyrazol-3-yl]spiro[2.2]pentane-2-carboxamide
CID 142372129
1-[4-(4-fluorophenyl)-3-pyridinyl]ethanone
CID 59872501
3-fluoro-4-(4-fluorophenyl)pyridine
CID 46312739
N-pyridin-4-ylspiro[2.5]octane-2-carboxamide;2,2,2-trifluoroacetic acid
CID 171686481
3-fluoro-4-(spiro[2.2]pentane-2-carbonylamino)benzoic acid
CID 122108113
4-[(2,4-difluorophenyl)carbamoyl]oxane-4-carboxylic acid
CID 154865208
2-amino-6-fluoro-N-[4-[4-[(3S)-4-methylmorpholin-3-yl]phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90200011

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenyl)-3-pyridinyl]-6-oxaspiro[2.5]octane-2-carboxamide?
The IUPAC name of N-[4-(4-fluorophenyl)-3-pyridinyl]-6-oxaspiro[2.5]octane-2-carboxamide (CID 154789112) is N-[4-(4-fluorophenyl)-3-pyridinyl]-6-oxaspiro[2.5]octane-2-carboxamide.
What is the SMILES notation for N-[4-(4-fluorophenyl)-3-pyridinyl]-6-oxaspiro[2.5]octane-2-carboxamide?
The canonical SMILES for N-[4-(4-fluorophenyl)-3-pyridinyl]-6-oxaspiro[2.5]octane-2-carboxamide is O=C(Nc1cnccc1-c1ccc(F)cc1)C1CC12CCOCC2.
What is the InChIKey of N-[4-(4-fluorophenyl)-3-pyridinyl]-6-oxaspiro[2.5]octane-2-carboxamide?
The InChIKey is KDEZVVZOJBINGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O2/c20-14-3-1-13(2-4-14)15-5-8-21-12-17(15)22-18(23)16-11-19(16)6-9-24-10-7-19/h1-5,8,12,16H,6-7,9-11H2,(H,22,23).
What are the key properties of N-[4-(4-fluorophenyl)-3-pyridinyl]-6-oxaspiro[2.5]octane-2-carboxamide?
N-[4-(4-fluorophenyl)-3-pyridinyl]-6-oxaspiro[2.5]octane-2-carboxamide has a molecular weight of 326.37 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenyl)-3-pyridinyl]-6-oxaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 154789112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).