[(2S)-2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-(2-fluorophenyl)methanone

C20H24FN3O2 — CID 124954150

IUPAC[(2S)-2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-(2-fluorophenyl)methanone
SMILESCN(C)c1cc(CC[C@H]2CN(C(=O)c3ccccc3F)CCO2)ccn1
InChIInChI=1S/C20H24FN3O2/c1-23(2)19-13-15(9-10-22-19)7-8-16-14-24(11-12-26-16)20(25)17-5-3-4-6-18(17)21/h3-6,9-10,13,16H,7-8,11-12,14H2,1-2H3/t16-/m0/s1
InChIKeyFAKPLHNMPANDAR-INIZCTEOSA-N
MW357.43 g/mol
LogP2.76
Rot. Bonds5

About [(2S)-2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-(2-fluorophenyl)methanone

[(2S)-2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-(2-fluorophenyl)methanone (PubChem CID 124954150) has the molecular formula C20H24FN3O2 and a molecular weight of 357.43 g/mol. Its IUPAC name is [(2S)-2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-(2-fluorophenyl)methanone.

Molecular Properties

Compound Name[(2S)-2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-(2-fluorophenyl)methanone
PubChem CID124954150
Molecular FormulaC20H24FN3O2
Molecular Weight357.43 g/mol
Exact Mass357.19
IUPAC Name[(2S)-2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-(2-fluorophenyl)methanone
SMILESCN(C)c1cc(CC[C@H]2CN(C(=O)c3ccccc3F)CCO2)ccn1
InChIInChI=1S/C20H24FN3O2/c1-23(2)19-13-15(9-10-22-19)7-8-16-14-24(11-12-26-16)20(25)17-5-3-4-6-18(17)21/h3-6,9-10,13,16H,7-8,11-12,14H2,1-2H3/t16-/m0/s1
InChIKeyFAKPLHNMPANDAR-INIZCTEOSA-N
XLogP2.76
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 125027294
[2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-(5-methyl-1,3-oxazol-4-yl)methanone
CID 110114030
[(2R)-2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-(1,3-thiazol-5-yl)methanone
CID 125009167
[(2S)-2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-(3-ethyl-1,2-oxazol-5-yl)methanone
CID 125002202
[(2R)-2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-(4-methylthiophen-2-yl)methanone
CID 124950403
[2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-(1-methylpyrazol-4-yl)methanone
CID 110114065
[(2S)-2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-(1,3-thiazol-4-yl)methanone
CID 125000357
4-[(2R)-2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-4-oxobutanoic acid
CID 124992467
2-cyclopropyl-1-[(2R)-2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]ethanone
CID 124970546
1-[2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
CID 110119302
1-[2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-2-thiophen-3-ylethanone
CID 110114059
N,N-dimethyl-4-[2-(4-pyrimidin-2-ylmorpholin-2-yl)ethyl]pyridin-2-amine
CID 110114051

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-(2-fluorophenyl)methanone?
The IUPAC name of [(2S)-2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-(2-fluorophenyl)methanone (CID 124954150) is [(2S)-2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-(2-fluorophenyl)methanone.
What is the SMILES notation for [(2S)-2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-(2-fluorophenyl)methanone?
The canonical SMILES for [(2S)-2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-(2-fluorophenyl)methanone is CN(C)c1cc(CC[C@H]2CN(C(=O)c3ccccc3F)CCO2)ccn1.
What is the InChIKey of [(2S)-2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-(2-fluorophenyl)methanone?
The InChIKey is FAKPLHNMPANDAR-INIZCTEOSA-N. The full InChI is InChI=1S/C20H24FN3O2/c1-23(2)19-13-15(9-10-22-19)7-8-16-14-24(11-12-26-16)20(25)17-5-3-4-6-18(17)21/h3-6,9-10,13,16H,7-8,11-12,14H2,1-2H3/t16-/m0/s1.
What are the key properties of [(2S)-2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-(2-fluorophenyl)methanone?
[(2S)-2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-(2-fluorophenyl)methanone has a molecular weight of 357.43 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-(2-fluorophenyl)methanone is sourced from PubChem (CID 124954150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).