(3R)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-3-methylpentanamide

C18H20F2N2O2 — CID 95190027

IUPAC(3R)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-3-methylpentanamide
SMILESCC[C@@H](C)CC(=O)NCc1cccnc1Oc1ccc(F)cc1F
InChIInChI=1S/C18H20F2N2O2/c1-3-12(2)9-17(23)22-11-13-5-4-8-21-18(13)24-16-7-6-14(19)10-15(16)20/h4-8,10,12H,3,9,11H2,1-2H3,(H,22,23)/t12-/m1/s1
InChIKeyGQKHGMDQIHYDTD-GFCCVEGCSA-N
MW334.37 g/mol
LogP4.20
Rot. Bonds7

About (3R)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-3-methylpentanamide

(3R)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-3-methylpentanamide (PubChem CID 95190027) has the molecular formula C18H20F2N2O2 and a molecular weight of 334.37 g/mol. Its IUPAC name is (3R)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-3-methylpentanamide.

Molecular Properties

Compound Name(3R)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-3-methylpentanamide
PubChem CID95190027
Molecular FormulaC18H20F2N2O2
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC Name(3R)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-3-methylpentanamide
SMILESCC[C@@H](C)CC(=O)NCc1cccnc1Oc1ccc(F)cc1F
InChIInChI=1S/C18H20F2N2O2/c1-3-12(2)9-17(23)22-11-13-5-4-8-21-18(13)24-16-7-6-14(19)10-15(16)20/h4-8,10,12H,3,9,11H2,1-2H3,(H,22,23)/t12-/m1/s1
InChIKeyGQKHGMDQIHYDTD-GFCCVEGCSA-N
XLogP4.20
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-2-hydroxyacetamide
CID 56751588
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
N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-3-pyridin-3-ylpropanamide
CID 42520255
N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-2-imidazol-1-ylacetamide
CID 26412943
N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-2-methyl-2-(methylamino)propanamide
CID 56759707
[2-(2,4-difluorophenoxy)-3-pyridinyl]methanol
CID 61256286
N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 42196758
N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide
CID 56757836
(3R)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-1-ethylpyrrolidine-3-carboxamide
CID 95200429
(3S)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-1-ethylpyrrolidine-3-carboxamide
CID 95200428

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-3-methylpentanamide?
The IUPAC name of (3R)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-3-methylpentanamide (CID 95190027) is (3R)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-3-methylpentanamide.
What is the SMILES notation for (3R)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-3-methylpentanamide?
The canonical SMILES for (3R)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-3-methylpentanamide is CC[C@@H](C)CC(=O)NCc1cccnc1Oc1ccc(F)cc1F.
What is the InChIKey of (3R)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-3-methylpentanamide?
The InChIKey is GQKHGMDQIHYDTD-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H20F2N2O2/c1-3-12(2)9-17(23)22-11-13-5-4-8-21-18(13)24-16-7-6-14(19)10-15(16)20/h4-8,10,12H,3,9,11H2,1-2H3,(H,22,23)/t12-/m1/s1.
What are the key properties of (3R)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-3-methylpentanamide?
(3R)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-3-methylpentanamide has a molecular weight of 334.37 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-3-methylpentanamide is sourced from PubChem (CID 95190027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).