4-[(2-fluoro-4-pyridin-3-ylphenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]oxane-4-carboxamide

C23H27FN2O3 — CID 124991594

IUPAC4-[(2-fluoro-4-pyridin-3-ylphenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]oxane-4-carboxamide
SMILESO=C(NC[C@H]1CCCO1)C1(Cc2ccc(-c3cccnc3)cc2F)CCOCC1
InChIInChI=1S/C23H27FN2O3/c24-21-13-17(19-3-1-9-25-15-19)5-6-18(21)14-23(7-11-28-12-8-23)22(27)26-16-20-4-2-10-29-20/h1,3,5-6,9,13,15,20H,2,4,7-8,10-12,14,16H2,(H,26,27)/t20-/m1/s1
InChIKeyPKOXFBFKACNQMU-HXUWFJFHSA-N
MW398.48 g/mol
LogP3.52
Rot. Bonds6

About 4-[(2-fluoro-4-pyridin-3-ylphenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]oxane-4-carboxamide

4-[(2-fluoro-4-pyridin-3-ylphenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]oxane-4-carboxamide (PubChem CID 124991594) has the molecular formula C23H27FN2O3 and a molecular weight of 398.48 g/mol. Its IUPAC name is 4-[(2-fluoro-4-pyridin-3-ylphenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-[(2-fluoro-4-pyridin-3-ylphenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]oxane-4-carboxamide
PubChem CID124991594
Molecular FormulaC23H27FN2O3
Molecular Weight398.48 g/mol
Exact Mass398.20
IUPAC Name4-[(2-fluoro-4-pyridin-3-ylphenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]oxane-4-carboxamide
SMILESO=C(NC[C@H]1CCCO1)C1(Cc2ccc(-c3cccnc3)cc2F)CCOCC1
InChIInChI=1S/C23H27FN2O3/c24-21-13-17(19-3-1-9-25-15-19)5-6-18(21)14-23(7-11-28-12-8-23)22(27)26-16-20-4-2-10-29-20/h1,3,5-6,9,13,15,20H,2,4,7-8,10-12,14,16H2,(H,26,27)/t20-/m1/s1
InChIKeyPKOXFBFKACNQMU-HXUWFJFHSA-N
XLogP3.52
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[(2-fluoro-4-pyridin-3-ylphenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]oxane-4-carboxamide with MolForge

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Related Compounds

4-[(2-fluoro-4-pyridin-3-ylphenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]oxane-4-carboxamide
CID 124991593
N-(oxolan-2-ylmethyl)-4-[(4-pyridin-3-ylphenyl)methyl]oxane-4-carboxamide
CID 110082846
N-[[(2S)-oxolan-2-yl]methyl]-4-[(4-pyridin-4-ylphenyl)methyl]oxane-4-carboxamide
CID 124951201
1-[(3-fluoro-4-pyridin-3-ylphenyl)methyl]-3-(oxolan-2-ylmethyl)urea
CID 167946087
N-(2-hydroxyethyl)-4-[(4-pyridin-3-ylphenyl)methyl]oxane-4-carboxamide
CID 110082855
N-[[(2R)-1-ethylpiperidin-2-yl]methyl]-4-[(4-pyridin-3-ylphenyl)methyl]oxane-4-carboxamide
CID 124977494
N-(1-methylcyclobutyl)-4-[(4-pyridin-3-ylphenyl)methyl]oxane-4-carboxamide
CID 110082879
N-ethyl-1-(oxolane-2-carbonyl)-4-[(3-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
CID 110083941
4-(3-fluoro-4-pyridinyl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 126425082
N-[[(2S)-oxolan-2-yl]methyl]-4-pyridin-3-yl-1,6-naphthyridine-2-carboxamide
CID 92570801
N-[(2-fluorophenyl)methyl]-4-[(3-pyridin-4-ylphenyl)methyl]oxane-4-carboxamide
CID 129458844
1-[(2S)-oxane-2-carbonyl]-N-propyl-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
CID 125010180

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluoro-4-pyridin-3-ylphenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]oxane-4-carboxamide?
The IUPAC name of 4-[(2-fluoro-4-pyridin-3-ylphenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]oxane-4-carboxamide (CID 124991594) is 4-[(2-fluoro-4-pyridin-3-ylphenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]oxane-4-carboxamide.
What is the SMILES notation for 4-[(2-fluoro-4-pyridin-3-ylphenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]oxane-4-carboxamide?
The canonical SMILES for 4-[(2-fluoro-4-pyridin-3-ylphenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]oxane-4-carboxamide is O=C(NC[C@H]1CCCO1)C1(Cc2ccc(-c3cccnc3)cc2F)CCOCC1.
What is the InChIKey of 4-[(2-fluoro-4-pyridin-3-ylphenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]oxane-4-carboxamide?
The InChIKey is PKOXFBFKACNQMU-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H27FN2O3/c24-21-13-17(19-3-1-9-25-15-19)5-6-18(21)14-23(7-11-28-12-8-23)22(27)26-16-20-4-2-10-29-20/h1,3,5-6,9,13,15,20H,2,4,7-8,10-12,14,16H2,(H,26,27)/t20-/m1/s1.
What are the key properties of 4-[(2-fluoro-4-pyridin-3-ylphenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]oxane-4-carboxamide?
4-[(2-fluoro-4-pyridin-3-ylphenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]oxane-4-carboxamide has a molecular weight of 398.48 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluoro-4-pyridin-3-ylphenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]oxane-4-carboxamide is sourced from PubChem (CID 124991594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).