5-fluoro-N-[(3R)-oxan-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide

C11H17FN2O2 — CID 126780814

IUPAC5-fluoro-N-[(3R)-oxan-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESO=C(N[C@@H]1CCCOC1)N1CCC=C(F)C1
InChIInChI=1S/C11H17FN2O2/c12-9-3-1-5-14(7-9)11(15)13-10-4-2-6-16-8-10/h3,10H,1-2,4-8H2,(H,13,15)/t10-/m1/s1
InChIKeyJWOXUZFXCYDKLL-SNVBAGLBSA-N
MW228.27 g/mol
LogP1.43
Rot. Bonds1

About 5-fluoro-N-[(3R)-oxan-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide

5-fluoro-N-[(3R)-oxan-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 126780814) has the molecular formula C11H17FN2O2 and a molecular weight of 228.27 g/mol. Its IUPAC name is 5-fluoro-N-[(3R)-oxan-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[(3R)-oxan-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID126780814
Molecular FormulaC11H17FN2O2
Molecular Weight228.27 g/mol
Exact Mass228.13
IUPAC Name5-fluoro-N-[(3R)-oxan-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESO=C(N[C@@H]1CCCOC1)N1CCC=C(F)C1
InChIInChI=1S/C11H17FN2O2/c12-9-3-1-5-14(7-9)11(15)13-10-4-2-6-16-8-10/h3,10H,1-2,4-8H2,(H,13,15)/t10-/m1/s1
InChIKeyJWOXUZFXCYDKLL-SNVBAGLBSA-N
XLogP1.43
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-(oxan-3-ylcarbamoyl)piperidine-3-carboxylic acid
CID 81120821
2-[1-(oxan-3-ylcarbamoyl)piperidin-4-yl]oxyacetic acid
CID 63875942
N-(oxan-3-yl)-3-(trifluoromethoxy)pyrrolidine-1-carboxamide
CID 142539991
N-cyclohexyl-5-methyl-3,6-dihydro-2H-pyridine-1-carboxamide
CID 106313541
(3S,4S)-1-(oxan-3-ylcarbamoyl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122001084
(3S,4S)-1-[[(3R)-oxan-3-yl]carbamoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122014555
1-(oxan-3-ylcarbamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63708921
oxan-3-ylcarbamic acid
CID 68631624
[(3S)-oxan-3-yl]carbamic acid
CID 141364908
3-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 114172541
N-(oxan-3-yl)acetamide
CID 55285282
N-cyclopropyl-1,4-oxazepane-4-carboxamide
CID 115597922

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[(3R)-oxan-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of 5-fluoro-N-[(3R)-oxan-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide (CID 126780814) is 5-fluoro-N-[(3R)-oxan-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for 5-fluoro-N-[(3R)-oxan-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for 5-fluoro-N-[(3R)-oxan-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide is O=C(N[C@@H]1CCCOC1)N1CCC=C(F)C1.
What is the InChIKey of 5-fluoro-N-[(3R)-oxan-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is JWOXUZFXCYDKLL-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H17FN2O2/c12-9-3-1-5-14(7-9)11(15)13-10-4-2-6-16-8-10/h3,10H,1-2,4-8H2,(H,13,15)/t10-/m1/s1.
What are the key properties of 5-fluoro-N-[(3R)-oxan-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide?
5-fluoro-N-[(3R)-oxan-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 228.27 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[(3R)-oxan-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 126780814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).