2-[(3-bromo-5-chloro-2-pyridinyl)amino]propanamide

C8H9BrClN3O — CID 114835671

IUPAC2-[(3-bromo-5-chloro-2-pyridinyl)amino]propanamide
SMILESCC(Nc1ncc(Cl)cc1Br)C(N)=O
InChIInChI=1S/C8H9BrClN3O/c1-4(7(11)14)13-8-6(9)2-5(10)3-12-8/h2-4H,1H3,(H2,11,14)(H,12,13)
InChIKeyYOWLGEZVMXMFAX-UHFFFAOYSA-N
MW278.54 g/mol
LogP1.78
Rot. Bonds3

About 2-[(3-bromo-5-chloro-2-pyridinyl)amino]propanamide

2-[(3-bromo-5-chloro-2-pyridinyl)amino]propanamide (PubChem CID 114835671) has the molecular formula C8H9BrClN3O and a molecular weight of 278.54 g/mol. Its IUPAC name is 2-[(3-bromo-5-chloro-2-pyridinyl)amino]propanamide.

Molecular Properties

Compound Name2-[(3-bromo-5-chloro-2-pyridinyl)amino]propanamide
PubChem CID114835671
Molecular FormulaC8H9BrClN3O
Molecular Weight278.54 g/mol
Exact Mass276.96
IUPAC Name2-[(3-bromo-5-chloro-2-pyridinyl)amino]propanamide
SMILESCC(Nc1ncc(Cl)cc1Br)C(N)=O
InChIInChI=1S/C8H9BrClN3O/c1-4(7(11)14)13-8-6(9)2-5(10)3-12-8/h2-4H,1H3,(H2,11,14)(H,12,13)
InChIKeyYOWLGEZVMXMFAX-UHFFFAOYSA-N
XLogP1.78
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.54
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[(3-bromo-5-chloro-2-pyridinyl)amino]propanoate
CID 114835797
2-[(5-bromo-3-chloro-2-pyridinyl)amino]propanamide
CID 103582387
2-[(3-bromo-5-chloro-2-pyridinyl)amino]propan-1-ol
CID 114835661
methyl 2-[(3,5-dichloro-2-pyridinyl)amino]propanoate
CID 43515153
3-bromo-N-but-3-en-2-yl-5-chloropyridin-2-amine
CID 114836115
3-bromo-5-chloro-N-(4-methylpentan-2-yl)pyridin-2-amine
CID 114835656
3-bromo-5-chloro-N-(2-methylpentan-3-yl)pyridin-2-amine
CID 114835785
2-N-(3-bromo-5-chloro-2-pyridinyl)-4-methylpentane-1,2-diamine
CID 114836303
3-bromo-5-chloro-N-methylpyridin-2-amine
CID 51356623
2-(2-bromo-5-chloroanilino)propanamide
CID 81281042
3-bromo-5-chloro-N-(1-chloro-4-methylpentan-2-yl)pyridin-2-amine
CID 114838487
3-bromo-5-chloro-N-(6-methylheptan-2-yl)pyridin-2-amine
CID 114835786

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-5-chloro-2-pyridinyl)amino]propanamide?
The IUPAC name of 2-[(3-bromo-5-chloro-2-pyridinyl)amino]propanamide (CID 114835671) is 2-[(3-bromo-5-chloro-2-pyridinyl)amino]propanamide.
What is the SMILES notation for 2-[(3-bromo-5-chloro-2-pyridinyl)amino]propanamide?
The canonical SMILES for 2-[(3-bromo-5-chloro-2-pyridinyl)amino]propanamide is CC(Nc1ncc(Cl)cc1Br)C(N)=O.
What is the InChIKey of 2-[(3-bromo-5-chloro-2-pyridinyl)amino]propanamide?
The InChIKey is YOWLGEZVMXMFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrClN3O/c1-4(7(11)14)13-8-6(9)2-5(10)3-12-8/h2-4H,1H3,(H2,11,14)(H,12,13).
What are the key properties of 2-[(3-bromo-5-chloro-2-pyridinyl)amino]propanamide?
2-[(3-bromo-5-chloro-2-pyridinyl)amino]propanamide has a molecular weight of 278.54 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-5-chloro-2-pyridinyl)amino]propanamide is sourced from PubChem (CID 114835671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).