3-[(3-bromo-4-pyridinyl)amino]-N-(2-methoxyethyl)propanamide

C11H16BrN3O2 — CID 104777242

IUPAC3-[(3-bromo-4-pyridinyl)amino]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCNc1ccncc1Br
InChIInChI=1S/C11H16BrN3O2/c1-17-7-6-15-11(16)3-5-14-10-2-4-13-8-9(10)12/h2,4,8H,3,5-7H2,1H3,(H,13,14)(H,15,16)
InChIKeySELZIOUHYNTIBK-UHFFFAOYSA-N
MW302.17 g/mol
LogP1.41
Rot. Bonds7

About 3-[(3-bromo-4-pyridinyl)amino]-N-(2-methoxyethyl)propanamide

3-[(3-bromo-4-pyridinyl)amino]-N-(2-methoxyethyl)propanamide (PubChem CID 104777242) has the molecular formula C11H16BrN3O2 and a molecular weight of 302.17 g/mol. Its IUPAC name is 3-[(3-bromo-4-pyridinyl)amino]-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name3-[(3-bromo-4-pyridinyl)amino]-N-(2-methoxyethyl)propanamide
PubChem CID104777242
Molecular FormulaC11H16BrN3O2
Molecular Weight302.17 g/mol
Exact Mass301.04
IUPAC Name3-[(3-bromo-4-pyridinyl)amino]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCNc1ccncc1Br
InChIInChI=1S/C11H16BrN3O2/c1-17-7-6-15-11(16)3-5-14-10-2-4-13-8-9(10)12/h2,4,8H,3,5-7H2,1H3,(H,13,14)(H,15,16)
InChIKeySELZIOUHYNTIBK-UHFFFAOYSA-N
XLogP1.41
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 51.41
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

N'-(3-bromo-4-pyridinyl)-N-(2-methoxyethyl)ethane-1,2-diamine
CID 104777631
N-(2-methoxyethyl)-3-[(3-methylimidazo[4,5-c]pyridin-2-yl)amino]propanamide
CID 155958658
N-(2-methoxyethyl)-3-(pyridin-2-ylamino)propanamide
CID 47371043
N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-(propylamino)pyridine-4-carboxamide
CID 105071089
N-(2-methoxyethyl)-3-(2-phenoxyanilino)propanamide
CID 109015125
4-amino-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 81235993
N-(2-methoxyethyl)-3-(4-methylanilino)propanamide
CID 109015045
N-(2-methoxyethyl)-2-pyridin-3-ylacetamide
CID 110697049
N-(2-methoxyethyl)-2-(pyrazin-2-ylamino)acetamide
CID 115574127
3-(2-amino-3-methylanilino)-N-(2-methoxyethyl)propanamide
CID 114041350
N-[3-oxo-3-(propylamino)propyl]-4-(propylamino)pyridine-3-carboxamide
CID 81237252
3-[(5-aminopyrimidin-4-yl)amino]-N-(2-methoxyethyl)propanamide
CID 113409561

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromo-4-pyridinyl)amino]-N-(2-methoxyethyl)propanamide?
The IUPAC name of 3-[(3-bromo-4-pyridinyl)amino]-N-(2-methoxyethyl)propanamide (CID 104777242) is 3-[(3-bromo-4-pyridinyl)amino]-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 3-[(3-bromo-4-pyridinyl)amino]-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 3-[(3-bromo-4-pyridinyl)amino]-N-(2-methoxyethyl)propanamide is COCCNC(=O)CCNc1ccncc1Br.
What is the InChIKey of 3-[(3-bromo-4-pyridinyl)amino]-N-(2-methoxyethyl)propanamide?
The InChIKey is SELZIOUHYNTIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O2/c1-17-7-6-15-11(16)3-5-14-10-2-4-13-8-9(10)12/h2,4,8H,3,5-7H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 3-[(3-bromo-4-pyridinyl)amino]-N-(2-methoxyethyl)propanamide?
3-[(3-bromo-4-pyridinyl)amino]-N-(2-methoxyethyl)propanamide has a molecular weight of 302.17 g/mol, XLogP of 1.41, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromo-4-pyridinyl)amino]-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 104777242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).