N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-2-methyl-2-(methylamino)propanamide

C17H19F2N3O2 — CID 56759707

IUPACN-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-2-methyl-2-(methylamino)propanamide
SMILESCNC(C)(C)C(=O)NCc1cccnc1Oc1ccc(F)cc1F
InChIInChI=1S/C17H19F2N3O2/c1-17(2,20-3)16(23)22-10-11-5-4-8-21-15(11)24-14-7-6-12(18)9-13(14)19/h4-9,20H,10H2,1-3H3,(H,22,23)
InChIKeyJIIRIVZSTPMMQX-UHFFFAOYSA-N
MW335.35 g/mol
LogP2.77
Rot. Bonds6

About N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-2-methyl-2-(methylamino)propanamide

N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-2-methyl-2-(methylamino)propanamide (PubChem CID 56759707) has the molecular formula C17H19F2N3O2 and a molecular weight of 335.35 g/mol. Its IUPAC name is N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-2-methyl-2-(methylamino)propanamide.

Molecular Properties

Compound NameN-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-2-methyl-2-(methylamino)propanamide
PubChem CID56759707
Molecular FormulaC17H19F2N3O2
Molecular Weight335.35 g/mol
Exact Mass335.14
IUPAC NameN-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-2-methyl-2-(methylamino)propanamide
SMILESCNC(C)(C)C(=O)NCc1cccnc1Oc1ccc(F)cc1F
InChIInChI=1S/C17H19F2N3O2/c1-17(2,20-3)16(23)22-10-11-5-4-8-21-15(11)24-14-7-6-12(18)9-13(14)19/h4-9,20H,10H2,1-3H3,(H,22,23)
InChIKeyJIIRIVZSTPMMQX-UHFFFAOYSA-N
XLogP2.77
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.35
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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
(3R)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-3-methylpentanamide
CID 95190027
N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-2-imidazol-1-ylacetamide
CID 26412943
[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]-3-pyridin-3-ylpropanamide
CID 42520255
N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide
CID 56757836
N-[(2-chlorophenyl)methyl]-2-(2,4-difluorophenoxy)pyridine-3-carboxamide
CID 22612146
(4R)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 95223374

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-2-methyl-2-(methylamino)propanamide?
The IUPAC name of N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-2-methyl-2-(methylamino)propanamide (CID 56759707) is N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-2-methyl-2-(methylamino)propanamide.
What is the SMILES notation for N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-2-methyl-2-(methylamino)propanamide?
The canonical SMILES for N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-2-methyl-2-(methylamino)propanamide is CNC(C)(C)C(=O)NCc1cccnc1Oc1ccc(F)cc1F.
What is the InChIKey of N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-2-methyl-2-(methylamino)propanamide?
The InChIKey is JIIRIVZSTPMMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N3O2/c1-17(2,20-3)16(23)22-10-11-5-4-8-21-15(11)24-14-7-6-12(18)9-13(14)19/h4-9,20H,10H2,1-3H3,(H,22,23).
What are the key properties of N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-2-methyl-2-(methylamino)propanamide?
N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-2-methyl-2-(methylamino)propanamide has a molecular weight of 335.35 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-2-methyl-2-(methylamino)propanamide is sourced from PubChem (CID 56759707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).