(2S)-2-amino-N-[4-(2,6-difluorobenzoyl)-5,6-difluoro-3-pyridinyl]propanamide

C15H11F4N3O2 — CID 171486470

IUPAC(2S)-2-amino-N-[4-(2,6-difluorobenzoyl)-5,6-difluoro-3-pyridinyl]propanamide
SMILESC[C@H](N)C(=O)Nc1cnc(F)c(F)c1C(=O)c1c(F)cccc1F
InChIInChI=1S/C15H11F4N3O2/c1-6(20)15(24)22-9-5-21-14(19)12(18)11(9)13(23)10-7(16)3-2-4-8(10)17/h2-6H,20H2,1H3,(H,22,24)/t6-/m0/s1
InChIKeyIISRDSJKLGTHJP-LURJTMIESA-N
MW341.26 g/mol
LogP2.15
Rot. Bonds4

About (2S)-2-amino-N-[4-(2,6-difluorobenzoyl)-5,6-difluoro-3-pyridinyl]propanamide

(2S)-2-amino-N-[4-(2,6-difluorobenzoyl)-5,6-difluoro-3-pyridinyl]propanamide (PubChem CID 171486470) has the molecular formula C15H11F4N3O2 and a molecular weight of 341.26 g/mol. Its IUPAC name is (2S)-2-amino-N-[4-(2,6-difluorobenzoyl)-5,6-difluoro-3-pyridinyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[4-(2,6-difluorobenzoyl)-5,6-difluoro-3-pyridinyl]propanamide
PubChem CID171486470
Molecular FormulaC15H11F4N3O2
Molecular Weight341.26 g/mol
Exact Mass341.08
IUPAC Name(2S)-2-amino-N-[4-(2,6-difluorobenzoyl)-5,6-difluoro-3-pyridinyl]propanamide
SMILESC[C@H](N)C(=O)Nc1cnc(F)c(F)c1C(=O)c1c(F)cccc1F
InChIInChI=1S/C15H11F4N3O2/c1-6(20)15(24)22-9-5-21-14(19)12(18)11(9)13(23)10-7(16)3-2-4-8(10)17/h2-6H,20H2,1H3,(H,22,24)/t6-/m0/s1
InChIKeyIISRDSJKLGTHJP-LURJTMIESA-N
XLogP2.15
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.26
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[4-(2,6-difluorobenzoyl)-5,6-difluoro-3-pyridinyl]propanamide?
The IUPAC name of (2S)-2-amino-N-[4-(2,6-difluorobenzoyl)-5,6-difluoro-3-pyridinyl]propanamide (CID 171486470) is (2S)-2-amino-N-[4-(2,6-difluorobenzoyl)-5,6-difluoro-3-pyridinyl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-[4-(2,6-difluorobenzoyl)-5,6-difluoro-3-pyridinyl]propanamide?
The canonical SMILES for (2S)-2-amino-N-[4-(2,6-difluorobenzoyl)-5,6-difluoro-3-pyridinyl]propanamide is C[C@H](N)C(=O)Nc1cnc(F)c(F)c1C(=O)c1c(F)cccc1F.
What is the InChIKey of (2S)-2-amino-N-[4-(2,6-difluorobenzoyl)-5,6-difluoro-3-pyridinyl]propanamide?
The InChIKey is IISRDSJKLGTHJP-LURJTMIESA-N. The full InChI is InChI=1S/C15H11F4N3O2/c1-6(20)15(24)22-9-5-21-14(19)12(18)11(9)13(23)10-7(16)3-2-4-8(10)17/h2-6H,20H2,1H3,(H,22,24)/t6-/m0/s1.
What are the key properties of (2S)-2-amino-N-[4-(2,6-difluorobenzoyl)-5,6-difluoro-3-pyridinyl]propanamide?
(2S)-2-amino-N-[4-(2,6-difluorobenzoyl)-5,6-difluoro-3-pyridinyl]propanamide has a molecular weight of 341.26 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[4-(2,6-difluorobenzoyl)-5,6-difluoro-3-pyridinyl]propanamide is sourced from PubChem (CID 171486470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).