N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-3-fluoropyridine-4-carboxamide

C15H21FN2O2 — CID 129003469

IUPACN-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-3-fluoropyridine-4-carboxamide
SMILESCC(C)(C)[C@H]1OCC[C@@H]1CNC(=O)c1ccncc1F
InChIInChI=1S/C15H21FN2O2/c1-15(2,3)13-10(5-7-20-13)8-18-14(19)11-4-6-17-9-12(11)16/h4,6,9-10,13H,5,7-8H2,1-3H3,(H,18,19)/t10-,13+/m1/s1
InChIKeyCIHPQAHEBNPVOY-MFKMUULPSA-N
MW280.34 g/mol
LogP2.40
Rot. Bonds3

About N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-3-fluoropyridine-4-carboxamide

N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-3-fluoropyridine-4-carboxamide (PubChem CID 129003469) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-3-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-3-fluoropyridine-4-carboxamide
PubChem CID129003469
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC NameN-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-3-fluoropyridine-4-carboxamide
SMILESCC(C)(C)[C@H]1OCC[C@@H]1CNC(=O)c1ccncc1F
InChIInChI=1S/C15H21FN2O2/c1-15(2,3)13-10(5-7-20-13)8-18-14(19)11-4-6-17-9-12(11)16/h4,6,9-10,13H,5,7-8H2,1-3H3,(H,18,19)/t10-,13+/m1/s1
InChIKeyCIHPQAHEBNPVOY-MFKMUULPSA-N
XLogP2.40
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-3-(3-fluoro-4-pyridinyl)urea
CID 128999282
3-fluoro-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]pyridine-4-carboxamide
CID 129002144
1-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-3-(4-methyl-3-pyridinyl)urea
CID 128996574
N-(2,2-dimethylpropyl)-3-fluoropyridine-4-carboxamide
CID 115646049
N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-5-ethylfuran-2-carboxamide
CID 129003470
N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-2-ethylpyrazole-3-carboxamide
CID 128999502
N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-3-fluoropyridine-4-carboxamide
CID 99990409
3-fluoro-N-(thian-4-ylmethyl)pyridine-4-carboxamide
CID 115646155
N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-1,2,5-thiadiazole-3-carboxamide
CID 129001929
N-[2-(dimethylamino)-2-methylpropyl]-3-fluoropyridine-4-carboxamide
CID 115646224
N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 129001930
N-[(2-tert-butyloxolan-3-yl)methyl]-2-methyl-4-(1,2,4-triazol-1-yl)benzamide
CID 71998579

Frequently Asked Questions

What is the IUPAC name of N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-3-fluoropyridine-4-carboxamide?
The IUPAC name of N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-3-fluoropyridine-4-carboxamide (CID 129003469) is N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-3-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-3-fluoropyridine-4-carboxamide?
The canonical SMILES for N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-3-fluoropyridine-4-carboxamide is CC(C)(C)[C@H]1OCC[C@@H]1CNC(=O)c1ccncc1F.
What is the InChIKey of N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-3-fluoropyridine-4-carboxamide?
The InChIKey is CIHPQAHEBNPVOY-MFKMUULPSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-15(2,3)13-10(5-7-20-13)8-18-14(19)11-4-6-17-9-12(11)16/h4,6,9-10,13H,5,7-8H2,1-3H3,(H,18,19)/t10-,13+/m1/s1.
What are the key properties of N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-3-fluoropyridine-4-carboxamide?
N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-3-fluoropyridine-4-carboxamide has a molecular weight of 280.34 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-3-fluoropyridine-4-carboxamide is sourced from PubChem (CID 129003469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).