6-bromo-N-[2-oxo-2-(propylamino)ethyl]pyridine-2-carboxamide

C11H14BrN3O2 — CID 103879438

IUPAC6-bromo-N-[2-oxo-2-(propylamino)ethyl]pyridine-2-carboxamide
SMILESCCCNC(=O)CNC(=O)c1cccc(Br)n1
InChIInChI=1S/C11H14BrN3O2/c1-2-6-13-10(16)7-14-11(17)8-4-3-5-9(12)15-8/h3-5H,2,6-7H2,1H3,(H,13,16)(H,14,17)
InChIKeySDWLEFAXGNVBSK-UHFFFAOYSA-N
MW300.16 g/mol
LogP1.10
Rot. Bonds5

About 6-bromo-N-[2-oxo-2-(propylamino)ethyl]pyridine-2-carboxamide

6-bromo-N-[2-oxo-2-(propylamino)ethyl]pyridine-2-carboxamide (PubChem CID 103879438) has the molecular formula C11H14BrN3O2 and a molecular weight of 300.16 g/mol. Its IUPAC name is 6-bromo-N-[2-oxo-2-(propylamino)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[2-oxo-2-(propylamino)ethyl]pyridine-2-carboxamide
PubChem CID103879438
Molecular FormulaC11H14BrN3O2
Molecular Weight300.16 g/mol
Exact Mass299.03
IUPAC Name6-bromo-N-[2-oxo-2-(propylamino)ethyl]pyridine-2-carboxamide
SMILESCCCNC(=O)CNC(=O)c1cccc(Br)n1
InChIInChI=1S/C11H14BrN3O2/c1-2-6-13-10(16)7-14-11(17)8-4-3-5-9(12)15-8/h3-5H,2,6-7H2,1H3,(H,13,16)(H,14,17)
InChIKeySDWLEFAXGNVBSK-UHFFFAOYSA-N
XLogP1.10
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.16
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-N-[2-oxo-2-(propylamino)ethyl]-N-propylpyridine-2-carboxamide
CID 103874286
N-[2-(ethylamino)-2-oxoethyl]-6-(propylamino)pyridine-2-carboxamide
CID 55052141
6-bromo-N-(3,3-dimethylbutyl)pyridine-2-carboxamide
CID 103889719
6-bromo-N-(3-methylbutyl)pyridine-2-carboxamide
CID 21352691
N-propyl-6-[6-(propylcarbamoyl)-2-pyridinyl]pyridine-2-carboxamide
CID 10980324
6-bromo-N-(3-hydroxypentyl)pyridine-2-carboxamide
CID 103917004
methyl 3-[(6-bromopyridine-2-carbonyl)amino]propanoate
CID 18918524
2-bromo-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 18162727
6-bromo-N-[2-(dimethylamino)propyl]pyridine-2-carboxamide
CID 103916694
6-amino-N-[2-(ethylamino)-2-oxoethyl]pyridine-2-carboxamide
CID 62238608
4-[(6-bromopyridine-2-carbonyl)amino]butanoic acid
CID 19966484
6-bromo-N-(3-methylsulfanylbutyl)pyridine-2-carboxamide
CID 103916813

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[2-oxo-2-(propylamino)ethyl]pyridine-2-carboxamide?
The IUPAC name of 6-bromo-N-[2-oxo-2-(propylamino)ethyl]pyridine-2-carboxamide (CID 103879438) is 6-bromo-N-[2-oxo-2-(propylamino)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-bromo-N-[2-oxo-2-(propylamino)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 6-bromo-N-[2-oxo-2-(propylamino)ethyl]pyridine-2-carboxamide is CCCNC(=O)CNC(=O)c1cccc(Br)n1.
What is the InChIKey of 6-bromo-N-[2-oxo-2-(propylamino)ethyl]pyridine-2-carboxamide?
The InChIKey is SDWLEFAXGNVBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O2/c1-2-6-13-10(16)7-14-11(17)8-4-3-5-9(12)15-8/h3-5H,2,6-7H2,1H3,(H,13,16)(H,14,17).
What are the key properties of 6-bromo-N-[2-oxo-2-(propylamino)ethyl]pyridine-2-carboxamide?
6-bromo-N-[2-oxo-2-(propylamino)ethyl]pyridine-2-carboxamide has a molecular weight of 300.16 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[2-oxo-2-(propylamino)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 103879438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).