2-[(3,5-difluoro-2-pyridinyl)amino]-N-(2-methoxyethyl)propanamide

C11H15F2N3O2 — CID 113407924

IUPAC2-[(3,5-difluoro-2-pyridinyl)amino]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)Nc1ncc(F)cc1F
InChIInChI=1S/C11H15F2N3O2/c1-7(11(17)14-3-4-18-2)16-10-9(13)5-8(12)6-15-10/h5-7H,3-4H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyLUMQAXJKRDFTCQ-UHFFFAOYSA-N
MW259.26 g/mol
LogP0.92
Rot. Bonds6

About 2-[(3,5-difluoro-2-pyridinyl)amino]-N-(2-methoxyethyl)propanamide

2-[(3,5-difluoro-2-pyridinyl)amino]-N-(2-methoxyethyl)propanamide (PubChem CID 113407924) has the molecular formula C11H15F2N3O2 and a molecular weight of 259.26 g/mol. Its IUPAC name is 2-[(3,5-difluoro-2-pyridinyl)amino]-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name2-[(3,5-difluoro-2-pyridinyl)amino]-N-(2-methoxyethyl)propanamide
PubChem CID113407924
Molecular FormulaC11H15F2N3O2
Molecular Weight259.26 g/mol
Exact Mass259.11
IUPAC Name2-[(3,5-difluoro-2-pyridinyl)amino]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)Nc1ncc(F)cc1F
InChIInChI=1S/C11H15F2N3O2/c1-7(11(17)14-3-4-18-2)16-10-9(13)5-8(12)6-15-10/h5-7H,3-4H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyLUMQAXJKRDFTCQ-UHFFFAOYSA-N
XLogP0.92
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-bromo-3-fluoroanilino)-N-(2-methoxyethyl)propanamide
CID 65437332
2-(3-fluoro-4-methylanilino)-N-(2-methoxyethyl)propanamide
CID 43087306
2-[(5-chloro-3-fluoro-2-pyridinyl)amino]-N-ethylpropanamide
CID 79728652
2-(2-bromo-6-chloro-4-fluoroanilino)-N-(2-methoxyethyl)propanamide
CID 107611396
2-[(3-chloro-2-pyridinyl)amino]-N-(2-methoxyethyl)propanamide
CID 113407922
2-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]-N-(2-methoxyethyl)propanamide
CID 102759668
2-[(6-amino-5-chloropyrimidin-4-yl)amino]-N-(2-methoxyethyl)propanamide
CID 114049887
2,4-difluoro-6-hydroxy-N-(2-methoxyethyl)benzamide
CID 47465669
2-(2,6-dibromo-4-methylanilino)-N-(2-methoxyethyl)propanamide
CID 43126255
3-[(5-bromo-3-fluoro-2-pyridinyl)amino]-N-(2-methoxyethyl)propanamide
CID 104923993
3-[(5-chloro-3-fluoro-2-pyridinyl)amino]-N-(2-methoxyethyl)propanamide
CID 75377090
N-(2-methoxyethyl)-2-[(5-methoxy-1-methylpyrazol-3-yl)amino]propanamide
CID 114255815

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-difluoro-2-pyridinyl)amino]-N-(2-methoxyethyl)propanamide?
The IUPAC name of 2-[(3,5-difluoro-2-pyridinyl)amino]-N-(2-methoxyethyl)propanamide (CID 113407924) is 2-[(3,5-difluoro-2-pyridinyl)amino]-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 2-[(3,5-difluoro-2-pyridinyl)amino]-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 2-[(3,5-difluoro-2-pyridinyl)amino]-N-(2-methoxyethyl)propanamide is COCCNC(=O)C(C)Nc1ncc(F)cc1F.
What is the InChIKey of 2-[(3,5-difluoro-2-pyridinyl)amino]-N-(2-methoxyethyl)propanamide?
The InChIKey is LUMQAXJKRDFTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N3O2/c1-7(11(17)14-3-4-18-2)16-10-9(13)5-8(12)6-15-10/h5-7H,3-4H2,1-2H3,(H,14,17)(H,15,16).
What are the key properties of 2-[(3,5-difluoro-2-pyridinyl)amino]-N-(2-methoxyethyl)propanamide?
2-[(3,5-difluoro-2-pyridinyl)amino]-N-(2-methoxyethyl)propanamide has a molecular weight of 259.26 g/mol, XLogP of 0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-difluoro-2-pyridinyl)amino]-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 113407924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).