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

C8H9BrClN3O — CID 103582387

IUPAC2-[(5-bromo-3-chloro-2-pyridinyl)amino]propanamide
SMILESCC(Nc1ncc(Br)cc1Cl)C(N)=O
InChIInChI=1S/C8H9BrClN3O/c1-4(7(11)14)13-8-6(10)2-5(9)3-12-8/h2-4H,1H3,(H2,11,14)(H,12,13)
InChIKeyKQCSXDZJXZTPMC-UHFFFAOYSA-N
MW278.54 g/mol
LogP1.78
Rot. Bonds3

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

2-[(5-bromo-3-chloro-2-pyridinyl)amino]propanamide (PubChem CID 103582387) has the molecular formula C8H9BrClN3O and a molecular weight of 278.54 g/mol. Its IUPAC name is 2-[(5-bromo-3-chloro-2-pyridinyl)amino]propanamide.

Molecular Properties

Compound Name2-[(5-bromo-3-chloro-2-pyridinyl)amino]propanamide
PubChem CID103582387
Molecular FormulaC8H9BrClN3O
Molecular Weight278.54 g/mol
Exact Mass276.96
IUPAC Name2-[(5-bromo-3-chloro-2-pyridinyl)amino]propanamide
SMILESCC(Nc1ncc(Br)cc1Cl)C(N)=O
InChIInChI=1S/C8H9BrClN3O/c1-4(7(11)14)13-8-6(10)2-5(9)3-12-8/h2-4H,1H3,(H2,11,14)(H,12,13)
InChIKeyKQCSXDZJXZTPMC-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

2-[(5-bromo-3-chloro-2-pyridinyl)amino]-N-(2-methylpropyl)propanamide
CID 103582611
2-[(3-bromo-5-chloro-2-pyridinyl)amino]propanamide
CID 114835671
(2S)-2-[(5-bromo-3-chloro-2-pyridinyl)amino]-3-methylbutanoic acid
CID 122049570
2-[(5-bromo-3-nitro-2-pyridinyl)amino]propanamide
CID 61229226
methyl 2-[(3,5-dichloro-2-pyridinyl)amino]propanoate
CID 43515153
5-bromo-3-chloro-N-(1-chloropropan-2-yl)pyridin-2-amine
CID 103584101
5-bromo-N-but-3-yn-2-yl-3-chloropyridin-2-amine
CID 103582656
5-bromo-3-chloro-N-(2-methylpentan-3-yl)pyridin-2-amine
CID 103582444
5-bromo-3-chloro-N-[(2S)-1-[(R)-methylsulfinyl]propan-2-yl]pyridin-2-amine
CID 124681216
5-bromo-3-chloro-N-[(2R)-1-[(S)-methylsulfinyl]propan-2-yl]pyridin-2-amine
CID 124681252
3-[(5-bromo-3-chloro-2-pyridinyl)amino]-3-methylbutanamide
CID 106097078
2-[(5-chloro-6-hydrazinyl-3-pyridinyl)sulfonylamino]propanamide
CID 64607030

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-3-chloro-2-pyridinyl)amino]propanamide?
The IUPAC name of 2-[(5-bromo-3-chloro-2-pyridinyl)amino]propanamide (CID 103582387) is 2-[(5-bromo-3-chloro-2-pyridinyl)amino]propanamide.
What is the SMILES notation for 2-[(5-bromo-3-chloro-2-pyridinyl)amino]propanamide?
The canonical SMILES for 2-[(5-bromo-3-chloro-2-pyridinyl)amino]propanamide is CC(Nc1ncc(Br)cc1Cl)C(N)=O.
What is the InChIKey of 2-[(5-bromo-3-chloro-2-pyridinyl)amino]propanamide?
The InChIKey is KQCSXDZJXZTPMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrClN3O/c1-4(7(11)14)13-8-6(10)2-5(9)3-12-8/h2-4H,1H3,(H2,11,14)(H,12,13).
What are the key properties of 2-[(5-bromo-3-chloro-2-pyridinyl)amino]propanamide?
2-[(5-bromo-3-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-[(5-bromo-3-chloro-2-pyridinyl)amino]propanamide is sourced from PubChem (CID 103582387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).