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

C15H15F2N3O2 — CID 56759592

IUPAC(2S)-2-amino-N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]propanamide
SMILESC[C@H](N)C(=O)NCc1cccnc1Oc1ccc(F)c(F)c1
InChIInChI=1S/C15H15F2N3O2/c1-9(18)14(21)20-8-10-3-2-6-19-15(10)22-11-4-5-12(16)13(17)7-11/h2-7,9H,8,18H2,1H3,(H,20,21)/t9-/m0/s1
InChIKeyHKRXQNWXORARPG-VIFPVBQESA-N
MW307.30 g/mol
LogP2.12
Rot. Bonds5

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

(2S)-2-amino-N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]propanamide (PubChem CID 56759592) has the molecular formula C15H15F2N3O2 and a molecular weight of 307.30 g/mol. Its IUPAC name is (2S)-2-amino-N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]propanamide
PubChem CID56759592
Molecular FormulaC15H15F2N3O2
Molecular Weight307.30 g/mol
Exact Mass307.11
IUPAC Name(2S)-2-amino-N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]propanamide
SMILESC[C@H](N)C(=O)NCc1cccnc1Oc1ccc(F)c(F)c1
InChIInChI=1S/C15H15F2N3O2/c1-9(18)14(21)20-8-10-3-2-6-19-15(10)22-11-4-5-12(16)13(17)7-11/h2-7,9H,8,18H2,1H3,(H,20,21)/t9-/m0/s1
InChIKeyHKRXQNWXORARPG-VIFPVBQESA-N
XLogP2.12
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.30
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]propanamide?
The IUPAC name of (2S)-2-amino-N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]propanamide (CID 56759592) is (2S)-2-amino-N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]propanamide?
The canonical SMILES for (2S)-2-amino-N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]propanamide is C[C@H](N)C(=O)NCc1cccnc1Oc1ccc(F)c(F)c1.
What is the InChIKey of (2S)-2-amino-N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]propanamide?
The InChIKey is HKRXQNWXORARPG-VIFPVBQESA-N. The full InChI is InChI=1S/C15H15F2N3O2/c1-9(18)14(21)20-8-10-3-2-6-19-15(10)22-11-4-5-12(16)13(17)7-11/h2-7,9H,8,18H2,1H3,(H,20,21)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]propanamide?
(2S)-2-amino-N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]propanamide has a molecular weight of 307.30 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]propanamide is sourced from PubChem (CID 56759592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).