3-fluoro-N-methyl-N-[2-[(2R)-oxan-2-yl]ethyl]pyridine-4-carboxamide

C14H19FN2O2 — CID 99972449

IUPAC3-fluoro-N-methyl-N-[2-[(2R)-oxan-2-yl]ethyl]pyridine-4-carboxamide
SMILESCN(CC[C@H]1CCCCO1)C(=O)c1ccncc1F
InChIInChI=1S/C14H19FN2O2/c1-17(8-6-11-4-2-3-9-19-11)14(18)12-5-7-16-10-13(12)15/h5,7,10-11H,2-4,6,8-9H2,1H3/t11-/m1/s1
InChIKeyMVCCUGTVGYLJJZ-LLVKDONJSA-N
MW266.32 g/mol
LogP2.25
Rot. Bonds4

About 3-fluoro-N-methyl-N-[2-[(2R)-oxan-2-yl]ethyl]pyridine-4-carboxamide

3-fluoro-N-methyl-N-[2-[(2R)-oxan-2-yl]ethyl]pyridine-4-carboxamide (PubChem CID 99972449) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 3-fluoro-N-methyl-N-[2-[(2R)-oxan-2-yl]ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-methyl-N-[2-[(2R)-oxan-2-yl]ethyl]pyridine-4-carboxamide
PubChem CID99972449
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name3-fluoro-N-methyl-N-[2-[(2R)-oxan-2-yl]ethyl]pyridine-4-carboxamide
SMILESCN(CC[C@H]1CCCCO1)C(=O)c1ccncc1F
InChIInChI=1S/C14H19FN2O2/c1-17(8-6-11-4-2-3-9-19-11)14(18)12-5-7-16-10-13(12)15/h5,7,10-11H,2-4,6,8-9H2,1H3/t11-/m1/s1
InChIKeyMVCCUGTVGYLJJZ-LLVKDONJSA-N
XLogP2.25
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

oxan-2-ylmethyl 3-fluoropyridine-4-carboxylate
CID 115645384
3-(3-fluoro-4-pyridinyl)-N-methyl-N-[3-[(2S)-oxolan-2-yl]propyl]benzamide
CID 125159693
2-(4-fluorophenyl)-N-methyl-N-[2-(oxan-2-yl)ethyl]-3-pyridin-3-ylpropanamide
CID 110619177
3-(ethylamino)-N-methyl-N-(oxan-2-ylmethyl)pyridine-4-carboxamide
CID 105068980
N-ethyl-3-hydroxy-N-(oxan-2-ylmethyl)pyridine-4-carboxamide
CID 90653439
N-cyclopentyl-N-ethyl-3-fluoropyridine-4-carboxamide
CID 115645775
N,2,8-trimethyl-N-[2-[(2R)-oxan-2-yl]ethyl]quinoline-4-carboxamide
CID 95045864
N-methyl-N-[2-(oxan-2-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide
CID 77091135
3-(ethylamino)-N-methyl-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
CID 105069188
N-methyl-4-(3-methyl-4-pyridinyl)-N-[3-(oxolan-2-yl)propyl]benzamide
CID 119067493
1-(3-fluoro-4-pyridinyl)-3-(oxan-2-yl)propan-1-ol
CID 115833989
1,1,3-trimethyl-3-[2-(oxan-2-yl)ethyl]urea
CID 110604883

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-methyl-N-[2-[(2R)-oxan-2-yl]ethyl]pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-N-methyl-N-[2-[(2R)-oxan-2-yl]ethyl]pyridine-4-carboxamide (CID 99972449) is 3-fluoro-N-methyl-N-[2-[(2R)-oxan-2-yl]ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-N-methyl-N-[2-[(2R)-oxan-2-yl]ethyl]pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-N-methyl-N-[2-[(2R)-oxan-2-yl]ethyl]pyridine-4-carboxamide is CN(CC[C@H]1CCCCO1)C(=O)c1ccncc1F.
What is the InChIKey of 3-fluoro-N-methyl-N-[2-[(2R)-oxan-2-yl]ethyl]pyridine-4-carboxamide?
The InChIKey is MVCCUGTVGYLJJZ-LLVKDONJSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-17(8-6-11-4-2-3-9-19-11)14(18)12-5-7-16-10-13(12)15/h5,7,10-11H,2-4,6,8-9H2,1H3/t11-/m1/s1.
What are the key properties of 3-fluoro-N-methyl-N-[2-[(2R)-oxan-2-yl]ethyl]pyridine-4-carboxamide?
3-fluoro-N-methyl-N-[2-[(2R)-oxan-2-yl]ethyl]pyridine-4-carboxamide has a molecular weight of 266.32 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-methyl-N-[2-[(2R)-oxan-2-yl]ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 99972449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).