3-fluoro-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]pyridine-4-carboxamide

C17H17FN2O2 — CID 129002144

IUPAC3-fluoro-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]pyridine-4-carboxamide
SMILESO=C(NC[C@H]1CCO[C@@H]1c1ccccc1)c1ccncc1F
InChIInChI=1S/C17H17FN2O2/c18-15-11-19-8-6-14(15)17(21)20-10-13-7-9-22-16(13)12-4-2-1-3-5-12/h1-6,8,11,13,16H,7,9-10H2,(H,20,21)/t13-,16-/m1/s1
InChIKeySQCUCHCZFCCDMH-CZUORRHYSA-N
MW300.33 g/mol
LogP2.73
Rot. Bonds4

About 3-fluoro-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]pyridine-4-carboxamide

3-fluoro-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]pyridine-4-carboxamide (PubChem CID 129002144) has the molecular formula C17H17FN2O2 and a molecular weight of 300.33 g/mol. Its IUPAC name is 3-fluoro-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]pyridine-4-carboxamide
PubChem CID129002144
Molecular FormulaC17H17FN2O2
Molecular Weight300.33 g/mol
Exact Mass300.13
IUPAC Name3-fluoro-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]pyridine-4-carboxamide
SMILESO=C(NC[C@H]1CCO[C@@H]1c1ccccc1)c1ccncc1F
InChIInChI=1S/C17H17FN2O2/c18-15-11-19-8-6-14(15)17(21)20-10-13-7-9-22-16(13)12-4-2-1-3-5-12/h1-6,8,11,13,16H,7,9-10H2,(H,20,21)/t13-,16-/m1/s1
InChIKeySQCUCHCZFCCDMH-CZUORRHYSA-N
XLogP2.73
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-3-fluoropyridine-4-carboxamide
CID 129003469
N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-3-fluoropyridine-4-carboxamide
CID 99990409
3-bromo-N-[[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methyl]pyridine-4-carboxamide
CID 154799222
3-amino-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]pyrazine-2-carboxamide
CID 129003341
5-methyl-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]pyrazine-2-carboxamide
CID 129000874
6-[[(2S,3R)-2-phenyloxolan-3-yl]methylcarbamoyl]pyridine-2-carboxylic acid
CID 120701779
N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]-2-pyridin-3-ylpropanamide
CID 129002179
5-[[(2R,3S)-2-phenyloxolan-3-yl]methylcarbamoyl]furan-3-carboxylic acid
CID 120701801
4-[[(2S,3R)-2-phenyloxolan-3-yl]methylcarbamoyl]pyridine-2-carboxylic acid
CID 120701781
4-methyl-6-oxo-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]-1H-pyridine-3-carboxamide
CID 129002182
3-fluoro-N-(thian-4-ylmethyl)pyridine-4-carboxamide
CID 115646155
N-[[(2R)-4-benzyl-1,4-oxazepan-2-yl]methyl]-3-fluoropyridine-4-carboxamide
CID 124742373

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]pyridine-4-carboxamide (CID 129002144) is 3-fluoro-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]pyridine-4-carboxamide is O=C(NC[C@H]1CCO[C@@H]1c1ccccc1)c1ccncc1F.
What is the InChIKey of 3-fluoro-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]pyridine-4-carboxamide?
The InChIKey is SQCUCHCZFCCDMH-CZUORRHYSA-N. The full InChI is InChI=1S/C17H17FN2O2/c18-15-11-19-8-6-14(15)17(21)20-10-13-7-9-22-16(13)12-4-2-1-3-5-12/h1-6,8,11,13,16H,7,9-10H2,(H,20,21)/t13-,16-/m1/s1.
What are the key properties of 3-fluoro-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]pyridine-4-carboxamide?
3-fluoro-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]pyridine-4-carboxamide has a molecular weight of 300.33 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 129002144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).