1-[2-(3-bromopropylamino)ethyl]pyridin-2-one

C10H15BrN2O — CID 82907735

IUPAC1-[2-(3-bromopropylamino)ethyl]pyridin-2-one
SMILESO=c1ccccn1CCNCCCBr
InChIInChI=1S/C10H15BrN2O/c11-5-3-6-12-7-9-13-8-2-1-4-10(13)14/h1-2,4,8,12H,3,5-7,9H2
InChIKeySMGIUAUNVLRNQU-UHFFFAOYSA-N
MW259.15 g/mol
LogP1.22
Rot. Bonds6

About 1-[2-(3-bromopropylamino)ethyl]pyridin-2-one

1-[2-(3-bromopropylamino)ethyl]pyridin-2-one (PubChem CID 82907735) has the molecular formula C10H15BrN2O and a molecular weight of 259.15 g/mol. Its IUPAC name is 1-[2-(3-bromopropylamino)ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-(3-bromopropylamino)ethyl]pyridin-2-one
PubChem CID82907735
Molecular FormulaC10H15BrN2O
Molecular Weight259.15 g/mol
Exact Mass258.04
IUPAC Name1-[2-(3-bromopropylamino)ethyl]pyridin-2-one
SMILESO=c1ccccn1CCNCCCBr
InChIInChI=1S/C10H15BrN2O/c11-5-3-6-12-7-9-13-8-2-1-4-10(13)14/h1-2,4,8,12H,3,5-7,9H2
InChIKeySMGIUAUNVLRNQU-UHFFFAOYSA-N
XLogP1.22
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.15
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-[2-(2-oxo-1-pyridinyl)ethylamino]butanamide
CID 82897026
1-[2-[3-(dimethylamino)propylamino]ethyl]pyridin-2-one
CID 62564162
1-[2-(benzylamino)ethyl]pyridin-2-one
CID 55070999
1-[2-[2-(2-chloroethoxy)ethylamino]ethyl]pyridin-2-one
CID 82907275
N-methyl-3-[2-(2-oxo-1-pyridinyl)ethylamino]propanamide
CID 82897118
1-[2-[2-[di(propan-2-yl)amino]ethylamino]ethyl]pyridin-2-one
CID 82897282
1-[3-(2-methylpropylamino)propyl]pyridin-2-one
CID 62564337
1-[2-[2-(4-methoxyphenyl)ethylamino]ethyl]pyridin-2-one
CID 82897744
ethyl 3-[2-(2-oxo-1-pyridinyl)ethylamino]propanoate
CID 82897754
1-[2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]ethyl]pyridin-2-one
CID 112689214
1-[2-[4-(2-bromoethyl)-1,4-diazepan-1-yl]ethyl]pyridin-2-one
CID 82907733
1-[2-(thiophen-3-ylmethylamino)ethyl]pyridin-2-one
CID 78977821

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-bromopropylamino)ethyl]pyridin-2-one?
The IUPAC name of 1-[2-(3-bromopropylamino)ethyl]pyridin-2-one (CID 82907735) is 1-[2-(3-bromopropylamino)ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-(3-bromopropylamino)ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-(3-bromopropylamino)ethyl]pyridin-2-one is O=c1ccccn1CCNCCCBr.
What is the InChIKey of 1-[2-(3-bromopropylamino)ethyl]pyridin-2-one?
The InChIKey is SMGIUAUNVLRNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O/c11-5-3-6-12-7-9-13-8-2-1-4-10(13)14/h1-2,4,8,12H,3,5-7,9H2.
What are the key properties of 1-[2-(3-bromopropylamino)ethyl]pyridin-2-one?
1-[2-(3-bromopropylamino)ethyl]pyridin-2-one has a molecular weight of 259.15 g/mol, XLogP of 1.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-bromopropylamino)ethyl]pyridin-2-one is sourced from PubChem (CID 82907735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).