(2S)-3-(dimethylamino)-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-2-methylpropanamide

C18H22FN3O2 — CID 95394220

IUPAC(2S)-3-(dimethylamino)-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-2-methylpropanamide
SMILESC[C@@H](CN(C)C)C(=O)NCc1cccnc1Oc1ccccc1F
InChIInChI=1S/C18H22FN3O2/c1-13(12-22(2)3)17(23)21-11-14-7-6-10-20-18(14)24-16-9-5-4-8-15(16)19/h4-10,13H,11-12H2,1-3H3,(H,21,23)/t13-/m0/s1
InChIKeyWDQLWDJDMWKCHR-ZDUSSCGKSA-N
MW331.39 g/mol
LogP2.83
Rot. Bonds7

About (2S)-3-(dimethylamino)-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-2-methylpropanamide

(2S)-3-(dimethylamino)-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-2-methylpropanamide (PubChem CID 95394220) has the molecular formula C18H22FN3O2 and a molecular weight of 331.39 g/mol. Its IUPAC name is (2S)-3-(dimethylamino)-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-2-methylpropanamide.

Molecular Properties

Compound Name(2S)-3-(dimethylamino)-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-2-methylpropanamide
PubChem CID95394220
Molecular FormulaC18H22FN3O2
Molecular Weight331.39 g/mol
Exact Mass331.17
IUPAC Name(2S)-3-(dimethylamino)-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-2-methylpropanamide
SMILESC[C@@H](CN(C)C)C(=O)NCc1cccnc1Oc1ccccc1F
InChIInChI=1S/C18H22FN3O2/c1-13(12-22(2)3)17(23)21-11-14-7-6-10-20-18(14)24-16-9-5-4-8-15(16)19/h4-10,13H,11-12H2,1-3H3,(H,21,23)/t13-/m0/s1
InChIKeyWDQLWDJDMWKCHR-ZDUSSCGKSA-N
XLogP2.83
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-2-pyrrol-1-ylpropanamide
CID 95197720
N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-2-hydroxypropanamide
CID 56738262
(2R)-2-amino-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]propanamide
CID 56759225
(2S)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-2-hydroxy-3-methylbutanamide
CID 95219679
4-acetamido-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]butanamide
CID 56739016
4-ethenyl-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]benzamide
CID 56747430
(2S)-3,3,3-trifluoro-2-hydroxy-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]propanamide
CID 95208041
2-methyl-3-(methylamino)-N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]propanamide;dihydrochloride
CID 119852318
3-acetyl-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-1H-pyrazole-5-carboxamide
CID 56738366
N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 25281555
N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 56752779
N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-2-hydroxyacetamide
CID 56751588

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(dimethylamino)-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-2-methylpropanamide?
The IUPAC name of (2S)-3-(dimethylamino)-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-2-methylpropanamide (CID 95394220) is (2S)-3-(dimethylamino)-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-2-methylpropanamide.
What is the SMILES notation for (2S)-3-(dimethylamino)-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-2-methylpropanamide?
The canonical SMILES for (2S)-3-(dimethylamino)-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-2-methylpropanamide is C[C@@H](CN(C)C)C(=O)NCc1cccnc1Oc1ccccc1F.
What is the InChIKey of (2S)-3-(dimethylamino)-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-2-methylpropanamide?
The InChIKey is WDQLWDJDMWKCHR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H22FN3O2/c1-13(12-22(2)3)17(23)21-11-14-7-6-10-20-18(14)24-16-9-5-4-8-15(16)19/h4-10,13H,11-12H2,1-3H3,(H,21,23)/t13-/m0/s1.
What are the key properties of (2S)-3-(dimethylamino)-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-2-methylpropanamide?
(2S)-3-(dimethylamino)-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-2-methylpropanamide has a molecular weight of 331.39 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(dimethylamino)-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-2-methylpropanamide is sourced from PubChem (CID 95394220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).