5-[(6-bromopyridine-3-carbonyl)amino]pentanoic acid

C11H13BrN2O3 — CID 66463056

IUPAC5-[(6-bromopyridine-3-carbonyl)amino]pentanoic acid
SMILESO=C(O)CCCCNC(=O)c1ccc(Br)nc1
InChIInChI=1S/C11H13BrN2O3/c12-9-5-4-8(7-14-9)11(17)13-6-2-1-3-10(15)16/h4-5,7H,1-3,6H2,(H,13,17)(H,15,16)
InChIKeySOHVZHHPRHGROJ-UHFFFAOYSA-N
MW301.14 g/mol
LogP1.83
Rot. Bonds6

About 5-[(6-bromopyridine-3-carbonyl)amino]pentanoic acid

5-[(6-bromopyridine-3-carbonyl)amino]pentanoic acid (PubChem CID 66463056) has the molecular formula C11H13BrN2O3 and a molecular weight of 301.14 g/mol. Its IUPAC name is 5-[(6-bromopyridine-3-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name5-[(6-bromopyridine-3-carbonyl)amino]pentanoic acid
PubChem CID66463056
Molecular FormulaC11H13BrN2O3
Molecular Weight301.14 g/mol
Exact Mass300.01
IUPAC Name5-[(6-bromopyridine-3-carbonyl)amino]pentanoic acid
SMILESO=C(O)CCCCNC(=O)c1ccc(Br)nc1
InChIInChI=1S/C11H13BrN2O3/c12-9-5-4-8(7-14-9)11(17)13-6-2-1-3-10(15)16/h4-5,7H,1-3,6H2,(H,13,17)(H,15,16)
InChIKeySOHVZHHPRHGROJ-UHFFFAOYSA-N
XLogP1.83
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.14
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-amino-3-oxopropyl)-6-bromopyridine-3-carboxamide
CID 66463277
6-bromo-N-(4,4,4-trifluorobutyl)pyridine-3-carboxamide
CID 79420880
(2R)-2-[(6-bromopyridine-3-carbonyl)amino]hexanedioic acid
CID 107831559
6-bromo-N-(3,3,3-trifluoropropyl)pyridine-3-carboxamide
CID 66465126
6-(pyridazine-4-carbonylamino)hexanoic acid
CID 112555129
6-bromo-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-3-carboxamide
CID 103719046
5-[(4-ethylbenzoyl)amino]pentanoic acid
CID 62034291
5-[(4-acetylbenzoyl)amino]pentanoic acid
CID 119234275
7-[(4-hydroxybenzoyl)amino]heptanoic acid
CID 24691793
5-[(3-bromo-4-chlorobenzoyl)amino]pentanoic acid
CID 107997905
6-[[3,5-bis(5-carboxypentylcarbamoyl)benzoyl]amino]hexanoic acid
CID 71378278
7-[(4-carbamoylbenzoyl)amino]heptanoic acid
CID 43358997

Frequently Asked Questions

What is the IUPAC name of 5-[(6-bromopyridine-3-carbonyl)amino]pentanoic acid?
The IUPAC name of 5-[(6-bromopyridine-3-carbonyl)amino]pentanoic acid (CID 66463056) is 5-[(6-bromopyridine-3-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 5-[(6-bromopyridine-3-carbonyl)amino]pentanoic acid?
The canonical SMILES for 5-[(6-bromopyridine-3-carbonyl)amino]pentanoic acid is O=C(O)CCCCNC(=O)c1ccc(Br)nc1.
What is the InChIKey of 5-[(6-bromopyridine-3-carbonyl)amino]pentanoic acid?
The InChIKey is SOHVZHHPRHGROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O3/c12-9-5-4-8(7-14-9)11(17)13-6-2-1-3-10(15)16/h4-5,7H,1-3,6H2,(H,13,17)(H,15,16).
What are the key properties of 5-[(6-bromopyridine-3-carbonyl)amino]pentanoic acid?
5-[(6-bromopyridine-3-carbonyl)amino]pentanoic acid has a molecular weight of 301.14 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-bromopyridine-3-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 66463056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).