3-bromo-5-nitro-1-[2-(propylamino)ethyl]pyridin-2-one

C10H14BrN3O3 — CID 113420333

IUPAC3-bromo-5-nitro-1-[2-(propylamino)ethyl]pyridin-2-one
SMILESCCCNCCn1cc([N+](=O)[O-])cc(Br)c1=O
InChIInChI=1S/C10H14BrN3O3/c1-2-3-12-4-5-13-7-8(14(16)17)6-9(11)10(13)15/h6-7,12H,2-5H2,1H3
InChIKeyAPNADRRWORBFBD-UHFFFAOYSA-N
MW304.14 g/mol
LogP1.52
Rot. Bonds6

About 3-bromo-5-nitro-1-[2-(propylamino)ethyl]pyridin-2-one

3-bromo-5-nitro-1-[2-(propylamino)ethyl]pyridin-2-one (PubChem CID 113420333) has the molecular formula C10H14BrN3O3 and a molecular weight of 304.14 g/mol. Its IUPAC name is 3-bromo-5-nitro-1-[2-(propylamino)ethyl]pyridin-2-one.

Molecular Properties

Compound Name3-bromo-5-nitro-1-[2-(propylamino)ethyl]pyridin-2-one
PubChem CID113420333
Molecular FormulaC10H14BrN3O3
Molecular Weight304.14 g/mol
Exact Mass303.02
IUPAC Name3-bromo-5-nitro-1-[2-(propylamino)ethyl]pyridin-2-one
SMILESCCCNCCn1cc([N+](=O)[O-])cc(Br)c1=O
InChIInChI=1S/C10H14BrN3O3/c1-2-3-12-4-5-13-7-8(14(16)17)6-9(11)10(13)15/h6-7,12H,2-5H2,1H3
InChIKeyAPNADRRWORBFBD-UHFFFAOYSA-N
XLogP1.52
TPSA77.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.14
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-bromo-5-nitro-1-[2-(propylamino)ethyl]pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-1-[2-(cyclopropylamino)ethyl]-5-nitropyridin-2-one
CID 113420334
3-bromo-1-(4-hydroxybutyl)-5-nitropyridin-2-one
CID 104505940
3-bromo-5-nitro-1-(4-sulfanylbutyl)pyridin-2-one
CID 104506088
3-bromo-5-nitro-1-(2-oxobutyl)pyridin-2-one
CID 115687189
3-bromo-5-nitro-1-(5-sulfanylpentyl)pyridin-2-one
CID 113420344
6-(3-bromo-5-nitro-2-oxo-1-pyridinyl)hexanehydrazide
CID 104506054
ethyl 2-(3-bromo-5-nitro-2-oxo-1-pyridinyl)acetate
CID 112699852
3-bromo-1-[(4-fluorophenyl)methyl]-5-nitropyridin-2-one
CID 75381210
N-[(2-bromo-4-nitrophenyl)methyl]propan-1-amine
CID 60790578
5-[(3-bromo-5-nitro-2-oxo-1-pyridinyl)methyl]furan-2-carbaldehyde
CID 104505923
1-methyl-4-nitro-N-[2-(propylamino)ethyl]pyrrole-2-carboxamide
CID 55100818
3-bromo-1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-5-nitropyridin-2-one
CID 115687185

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-nitro-1-[2-(propylamino)ethyl]pyridin-2-one?
The IUPAC name of 3-bromo-5-nitro-1-[2-(propylamino)ethyl]pyridin-2-one (CID 113420333) is 3-bromo-5-nitro-1-[2-(propylamino)ethyl]pyridin-2-one.
What is the SMILES notation for 3-bromo-5-nitro-1-[2-(propylamino)ethyl]pyridin-2-one?
The canonical SMILES for 3-bromo-5-nitro-1-[2-(propylamino)ethyl]pyridin-2-one is CCCNCCn1cc([N+](=O)[O-])cc(Br)c1=O.
What is the InChIKey of 3-bromo-5-nitro-1-[2-(propylamino)ethyl]pyridin-2-one?
The InChIKey is APNADRRWORBFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O3/c1-2-3-12-4-5-13-7-8(14(16)17)6-9(11)10(13)15/h6-7,12H,2-5H2,1H3.
What are the key properties of 3-bromo-5-nitro-1-[2-(propylamino)ethyl]pyridin-2-one?
3-bromo-5-nitro-1-[2-(propylamino)ethyl]pyridin-2-one has a molecular weight of 304.14 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-nitro-1-[2-(propylamino)ethyl]pyridin-2-one is sourced from PubChem (CID 113420333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).