3-(3-fluoro-4-pyridinyl)-N-methyl-N-[3-[(2S)-oxolan-2-yl]propyl]benzamide

C20H23FN2O2 — CID 125159693

IUPAC3-(3-fluoro-4-pyridinyl)-N-methyl-N-[3-[(2S)-oxolan-2-yl]propyl]benzamide
SMILESCN(CCC[C@H]1CCCO1)C(=O)c1cccc(-c2ccncc2F)c1
InChIInChI=1S/C20H23FN2O2/c1-23(11-3-7-17-8-4-12-25-17)20(24)16-6-2-5-15(13-16)18-9-10-22-14-19(18)21/h2,5-6,9-10,13-14,17H,3-4,7-8,11-12H2,1H3/t17-/m0/s1
InChIKeyRUZNDKFAZMLUDH-KRWDZBQOSA-N
MW342.41 g/mol
LogP3.92
Rot. Bonds6

About 3-(3-fluoro-4-pyridinyl)-N-methyl-N-[3-[(2S)-oxolan-2-yl]propyl]benzamide

3-(3-fluoro-4-pyridinyl)-N-methyl-N-[3-[(2S)-oxolan-2-yl]propyl]benzamide (PubChem CID 125159693) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is 3-(3-fluoro-4-pyridinyl)-N-methyl-N-[3-[(2S)-oxolan-2-yl]propyl]benzamide.

Molecular Properties

Compound Name3-(3-fluoro-4-pyridinyl)-N-methyl-N-[3-[(2S)-oxolan-2-yl]propyl]benzamide
PubChem CID125159693
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC Name3-(3-fluoro-4-pyridinyl)-N-methyl-N-[3-[(2S)-oxolan-2-yl]propyl]benzamide
SMILESCN(CCC[C@H]1CCCO1)C(=O)c1cccc(-c2ccncc2F)c1
InChIInChI=1S/C20H23FN2O2/c1-23(11-3-7-17-8-4-12-25-17)20(24)16-6-2-5-15(13-16)18-9-10-22-14-19(18)21/h2,5-6,9-10,13-14,17H,3-4,7-8,11-12H2,1H3/t17-/m0/s1
InChIKeyRUZNDKFAZMLUDH-KRWDZBQOSA-N
XLogP3.92
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(3-fluoro-4-pyridinyl)-N-methyl-N-[3-[(2S)-oxolan-2-yl]propyl]benzamide with MolForge

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Related Compounds

2-[3-[methyl-[3-(oxolan-2-yl)propyl]carbamoyl]phenyl]pyridine-3-carboxamide
CID 118787231
N-methyl-4-(3-methyl-4-pyridinyl)-N-[3-(oxolan-2-yl)propyl]benzamide
CID 119067493
3-(6-cyano-2-pyridinyl)-N-methyl-N-[3-[(2R)-oxolan-2-yl]propyl]benzamide
CID 126444243
3-fluoro-N-methyl-N-[2-[(2R)-oxan-2-yl]ethyl]pyridine-4-carboxamide
CID 99972449
N-[2-(dimethylamino)ethyl]-3-(3-methyl-4-pyridinyl)-N-(oxolan-2-ylmethyl)benzamide
CID 119062082
3,5-difluoro-N-methyl-N-[3-(oxolan-2-yl)propyl]pyridine-2-carboxamide
CID 91776280
8-fluoro-N-methyl-N-[3-[(2S)-oxolan-2-yl]propyl]quinoline-2-carboxamide
CID 97128255
N-methyl-6-oxo-N-[3-[(2S)-oxolan-2-yl]propyl]-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide
CID 97156070
N-methyl-N-[3-(oxolan-2-yl)propyl]-2-pyridin-3-ylacetamide
CID 91760229
4-(3-fluoro-4-pyridinyl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 126425082
3-(3-fluoro-2-pyridinyl)-N-[4-[(2S)-oxolan-2-yl]butyl]benzamide
CID 126450624
N-methyl-3-(3-methylimidazol-4-yl)-N-[[(2S)-oxan-2-yl]methyl]benzamide
CID 126444433

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-pyridinyl)-N-methyl-N-[3-[(2S)-oxolan-2-yl]propyl]benzamide?
The IUPAC name of 3-(3-fluoro-4-pyridinyl)-N-methyl-N-[3-[(2S)-oxolan-2-yl]propyl]benzamide (CID 125159693) is 3-(3-fluoro-4-pyridinyl)-N-methyl-N-[3-[(2S)-oxolan-2-yl]propyl]benzamide.
What is the SMILES notation for 3-(3-fluoro-4-pyridinyl)-N-methyl-N-[3-[(2S)-oxolan-2-yl]propyl]benzamide?
The canonical SMILES for 3-(3-fluoro-4-pyridinyl)-N-methyl-N-[3-[(2S)-oxolan-2-yl]propyl]benzamide is CN(CCC[C@H]1CCCO1)C(=O)c1cccc(-c2ccncc2F)c1.
What is the InChIKey of 3-(3-fluoro-4-pyridinyl)-N-methyl-N-[3-[(2S)-oxolan-2-yl]propyl]benzamide?
The InChIKey is RUZNDKFAZMLUDH-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H23FN2O2/c1-23(11-3-7-17-8-4-12-25-17)20(24)16-6-2-5-15(13-16)18-9-10-22-14-19(18)21/h2,5-6,9-10,13-14,17H,3-4,7-8,11-12H2,1H3/t17-/m0/s1.
What are the key properties of 3-(3-fluoro-4-pyridinyl)-N-methyl-N-[3-[(2S)-oxolan-2-yl]propyl]benzamide?
3-(3-fluoro-4-pyridinyl)-N-methyl-N-[3-[(2S)-oxolan-2-yl]propyl]benzamide has a molecular weight of 342.41 g/mol, XLogP of 3.92, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-pyridinyl)-N-methyl-N-[3-[(2S)-oxolan-2-yl]propyl]benzamide is sourced from PubChem (CID 125159693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).