3-[(5-bromo-3-fluoro-2-pyridinyl)amino]-N-(2-methoxyethyl)propanamide

C11H15BrFN3O2 — CID 104923993

IUPAC3-[(5-bromo-3-fluoro-2-pyridinyl)amino]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCNc1ncc(Br)cc1F
InChIInChI=1S/C11H15BrFN3O2/c1-18-5-4-14-10(17)2-3-15-11-9(13)6-8(12)7-16-11/h6-7H,2-5H2,1H3,(H,14,17)(H,15,16)
InChIKeyGQTCGWCPKDRLHK-UHFFFAOYSA-N
MW320.16 g/mol
LogP1.55
Rot. Bonds7

About 3-[(5-bromo-3-fluoro-2-pyridinyl)amino]-N-(2-methoxyethyl)propanamide

3-[(5-bromo-3-fluoro-2-pyridinyl)amino]-N-(2-methoxyethyl)propanamide (PubChem CID 104923993) has the molecular formula C11H15BrFN3O2 and a molecular weight of 320.16 g/mol. Its IUPAC name is 3-[(5-bromo-3-fluoro-2-pyridinyl)amino]-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name3-[(5-bromo-3-fluoro-2-pyridinyl)amino]-N-(2-methoxyethyl)propanamide
PubChem CID104923993
Molecular FormulaC11H15BrFN3O2
Molecular Weight320.16 g/mol
Exact Mass319.03
IUPAC Name3-[(5-bromo-3-fluoro-2-pyridinyl)amino]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCNc1ncc(Br)cc1F
InChIInChI=1S/C11H15BrFN3O2/c1-18-5-4-14-10(17)2-3-15-11-9(13)6-8(12)7-16-11/h6-7H,2-5H2,1H3,(H,14,17)(H,15,16)
InChIKeyGQTCGWCPKDRLHK-UHFFFAOYSA-N
XLogP1.55
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.16
LogP ≤ 51.55
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

3-[(5-chloro-3-fluoro-2-pyridinyl)amino]-N-(2-methoxyethyl)propanamide
CID 75377090
1-[(5-bromo-3-fluoro-2-pyridinyl)amino]-4-methoxy-2-methylbutan-2-ol
CID 106253455
3-[(5-aminopyrimidin-4-yl)amino]-N-(2-methoxyethyl)propanamide
CID 113409561
1-[(5-bromo-3-fluoro-2-pyridinyl)amino]-3-methoxypropan-2-ol
CID 104919061
5-bromo-N-(3-ethoxypropyl)-3-fluoropyridin-2-amine
CID 104923688
N-(2-methoxyethyl)-3-[(3,5,6-trichloro-2-pyridinyl)amino]propanamide
CID 102751815
5-bromo-3-fluoro-N-[(E)-pent-3-enyl]pyridin-2-amine
CID 104924312
3-(3,4-dichloroanilino)-N-(2-methoxyethyl)propanamide
CID 109015130
N-(2-methoxyethyl)-3-(3-methylanilino)propanamide
CID 109015044
3-[(3-bromo-4-pyridinyl)amino]-N-(2-methoxyethyl)propanamide
CID 104777242
3-[(5-bromo-3-fluoro-2-pyridinyl)amino]-1-morpholin-4-ylpropan-1-one
CID 104923813
N-(5-bromo-3-fluoro-2-pyridinyl)-N',N'-dimethylethane-1,2-diamine
CID 104923678

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-3-fluoro-2-pyridinyl)amino]-N-(2-methoxyethyl)propanamide?
The IUPAC name of 3-[(5-bromo-3-fluoro-2-pyridinyl)amino]-N-(2-methoxyethyl)propanamide (CID 104923993) is 3-[(5-bromo-3-fluoro-2-pyridinyl)amino]-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 3-[(5-bromo-3-fluoro-2-pyridinyl)amino]-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 3-[(5-bromo-3-fluoro-2-pyridinyl)amino]-N-(2-methoxyethyl)propanamide is COCCNC(=O)CCNc1ncc(Br)cc1F.
What is the InChIKey of 3-[(5-bromo-3-fluoro-2-pyridinyl)amino]-N-(2-methoxyethyl)propanamide?
The InChIKey is GQTCGWCPKDRLHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrFN3O2/c1-18-5-4-14-10(17)2-3-15-11-9(13)6-8(12)7-16-11/h6-7H,2-5H2,1H3,(H,14,17)(H,15,16).
What are the key properties of 3-[(5-bromo-3-fluoro-2-pyridinyl)amino]-N-(2-methoxyethyl)propanamide?
3-[(5-bromo-3-fluoro-2-pyridinyl)amino]-N-(2-methoxyethyl)propanamide has a molecular weight of 320.16 g/mol, XLogP of 1.55, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-3-fluoro-2-pyridinyl)amino]-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 104923993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).