(2S)-4-(3-fluoro-4-pyridinyl)-N,N-dimethylmorpholine-2-carboxamide

C12H16FN3O2 — CID 164631335

IUPAC(2S)-4-(3-fluoro-4-pyridinyl)-N,N-dimethylmorpholine-2-carboxamide
SMILESCN(C)C(=O)[C@@H]1CN(c2ccncc2F)CCO1
InChIInChI=1S/C12H16FN3O2/c1-15(2)12(17)11-8-16(5-6-18-11)10-3-4-14-7-9(10)13/h3-4,7,11H,5-6,8H2,1-2H3/t11-/m0/s1
InChIKeyPBSPEBULNGIYBD-NSHDSACASA-N
MW253.28 g/mol
LogP0.51
Rot. Bonds2

About (2S)-4-(3-fluoro-4-pyridinyl)-N,N-dimethylmorpholine-2-carboxamide

(2S)-4-(3-fluoro-4-pyridinyl)-N,N-dimethylmorpholine-2-carboxamide (PubChem CID 164631335) has the molecular formula C12H16FN3O2 and a molecular weight of 253.28 g/mol. Its IUPAC name is (2S)-4-(3-fluoro-4-pyridinyl)-N,N-dimethylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2S)-4-(3-fluoro-4-pyridinyl)-N,N-dimethylmorpholine-2-carboxamide
PubChem CID164631335
Molecular FormulaC12H16FN3O2
Molecular Weight253.28 g/mol
Exact Mass253.12
IUPAC Name(2S)-4-(3-fluoro-4-pyridinyl)-N,N-dimethylmorpholine-2-carboxamide
SMILESCN(C)C(=O)[C@@H]1CN(c2ccncc2F)CCO1
InChIInChI=1S/C12H16FN3O2/c1-15(2)12(17)11-8-16(5-6-18-11)10-3-4-14-7-9(10)13/h3-4,7,11H,5-6,8H2,1-2H3/t11-/m0/s1
InChIKeyPBSPEBULNGIYBD-NSHDSACASA-N
XLogP0.51
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

4-Morpholinopyridine
CID 4145413
US11649248, Example 38
CID 156290250
2-methoxy-1-[(5S)-2-pyridin-4-yl-2,7-diazaspiro[4.5]decan-7-yl]ethanone
CID 3234128
2-Methoxy-1-(2-pyridin-4-yl-2,7-diazaspiro[3.5]nonan-7-yl)ethanone
CID 3233040
2-Methoxy-1-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)ethanone
CID 3234725
2-Methoxy-1-(2-pyridin-4-yl-2,9-diazaspiro[5.5]undecan-9-yl)ethanone
CID 3234810
[2-Methyl-4-(pyridin-2-ylmethyl)morpholin-2-yl]-morpholin-4-ylmethanone
CID 110268187
Methyl 4-morpholin-4-ylpyridin-1-ium-1-carboxylate
CID 839677
[4-(Dimethylamino)pyridin-1-ium-1-yl]-morpholin-4-ylmethanone
CID 4360403
3-Ethoxy-1-(2-morpholin-4-ylethyl)pyrido[3,4-b]pyrazin-2-one
CID 20955284
2-(2-(2-methoxyethoxy)ethoxy)-N-(pyridin-4-yl)acetamide
CID 91971358
1-pyridin-4-yl-4-(tetrahydro-2H-pyran-2-ylcarbonyl)piperazine
CID 74232487

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(3-fluoro-4-pyridinyl)-N,N-dimethylmorpholine-2-carboxamide?
The IUPAC name of (2S)-4-(3-fluoro-4-pyridinyl)-N,N-dimethylmorpholine-2-carboxamide (CID 164631335) is (2S)-4-(3-fluoro-4-pyridinyl)-N,N-dimethylmorpholine-2-carboxamide.
What is the SMILES notation for (2S)-4-(3-fluoro-4-pyridinyl)-N,N-dimethylmorpholine-2-carboxamide?
The canonical SMILES for (2S)-4-(3-fluoro-4-pyridinyl)-N,N-dimethylmorpholine-2-carboxamide is CN(C)C(=O)[C@@H]1CN(c2ccncc2F)CCO1.
What is the InChIKey of (2S)-4-(3-fluoro-4-pyridinyl)-N,N-dimethylmorpholine-2-carboxamide?
The InChIKey is PBSPEBULNGIYBD-NSHDSACASA-N. The full InChI is InChI=1S/C12H16FN3O2/c1-15(2)12(17)11-8-16(5-6-18-11)10-3-4-14-7-9(10)13/h3-4,7,11H,5-6,8H2,1-2H3/t11-/m0/s1.
What are the key properties of (2S)-4-(3-fluoro-4-pyridinyl)-N,N-dimethylmorpholine-2-carboxamide?
(2S)-4-(3-fluoro-4-pyridinyl)-N,N-dimethylmorpholine-2-carboxamide has a molecular weight of 253.28 g/mol, XLogP of 0.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(3-fluoro-4-pyridinyl)-N,N-dimethylmorpholine-2-carboxamide is sourced from PubChem (CID 164631335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).