4-[(7-bromo-1,5-naphthyridin-4-yl)amino]pyrrolidin-2-one

C12H11BrN4O — CID 105023349

IUPAC4-[(7-bromo-1,5-naphthyridin-4-yl)amino]pyrrolidin-2-one
SMILESO=C1CC(Nc2ccnc3cc(Br)cnc23)CN1
InChIInChI=1S/C12H11BrN4O/c13-7-3-10-12(16-5-7)9(1-2-14-10)17-8-4-11(18)15-6-8/h1-3,5,8H,4,6H2,(H,14,17)(H,15,18)
InChIKeyICHDGSDSWASHOQ-UHFFFAOYSA-N
MW307.15 g/mol
LogP1.69
Rot. Bonds2

About 4-[(7-bromo-1,5-naphthyridin-4-yl)amino]pyrrolidin-2-one

4-[(7-bromo-1,5-naphthyridin-4-yl)amino]pyrrolidin-2-one (PubChem CID 105023349) has the molecular formula C12H11BrN4O and a molecular weight of 307.15 g/mol. Its IUPAC name is 4-[(7-bromo-1,5-naphthyridin-4-yl)amino]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[(7-bromo-1,5-naphthyridin-4-yl)amino]pyrrolidin-2-one
PubChem CID105023349
Molecular FormulaC12H11BrN4O
Molecular Weight307.15 g/mol
Exact Mass306.01
IUPAC Name4-[(7-bromo-1,5-naphthyridin-4-yl)amino]pyrrolidin-2-one
SMILESO=C1CC(Nc2ccnc3cc(Br)cnc23)CN1
InChIInChI=1S/C12H11BrN4O/c13-7-3-10-12(16-5-7)9(1-2-14-10)17-8-4-11(18)15-6-8/h1-3,5,8H,4,6H2,(H,14,17)(H,15,18)
InChIKeyICHDGSDSWASHOQ-UHFFFAOYSA-N
XLogP1.69
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.15
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(7-bromo-1,5-naphthyridin-4-yl)amino]pyrrolidin-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

7-bromo-N-(1,4-dioxaspiro[4.5]decan-8-yl)-1,5-naphthyridin-4-amine
CID 133482136
2-[(7-bromo-1,5-naphthyridin-4-yl)amino]cyclopentan-1-ol
CID 91648836
trans-(1S,2S)-2-[(7-bromo-1,5-naphthyridin-4-yl)amino]cyclopentan-1-ol
CID 99777938
trans-(1R,2R)-2-N-(7-bromo-1,5-naphthyridin-4-yl)cyclohexane-1,2-diamine
CID 102738731
[4-[(7-bromo-1,5-naphthyridin-4-yl)amino]piperidin-1-yl]-(furan-2-yl)methanone
CID 133481723
4-[(8-aminoquinolin-4-yl)amino]pyrrolidin-2-one
CID 106182802
7-bromo-N-[2-(chloromethyl)cyclopentyl]-1,5-naphthyridin-4-amine
CID 106365510
7-bromo-N-[2-(chloromethyl)cyclohexyl]-1,5-naphthyridin-4-amine
CID 106365685
4-[(3-bromo-5-chloro-2-pyridinyl)amino]pyrrolidin-2-one
CID 107143665
2-[(7-bromo-1,5-naphthyridin-4-yl)amino]-N-cyclopropylacetamide
CID 113394394
7-bromo-N-(3-methoxy-2,2-dimethylcyclobutyl)-1,5-naphthyridin-4-amine
CID 104891810
7-bromo-N-(pyrrolidin-2-ylmethyl)-1,5-naphthyridin-4-amine
CID 113394440

Frequently Asked Questions

What is the IUPAC name of 4-[(7-bromo-1,5-naphthyridin-4-yl)amino]pyrrolidin-2-one?
The IUPAC name of 4-[(7-bromo-1,5-naphthyridin-4-yl)amino]pyrrolidin-2-one (CID 105023349) is 4-[(7-bromo-1,5-naphthyridin-4-yl)amino]pyrrolidin-2-one.
What is the SMILES notation for 4-[(7-bromo-1,5-naphthyridin-4-yl)amino]pyrrolidin-2-one?
The canonical SMILES for 4-[(7-bromo-1,5-naphthyridin-4-yl)amino]pyrrolidin-2-one is O=C1CC(Nc2ccnc3cc(Br)cnc23)CN1.
What is the InChIKey of 4-[(7-bromo-1,5-naphthyridin-4-yl)amino]pyrrolidin-2-one?
The InChIKey is ICHDGSDSWASHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN4O/c13-7-3-10-12(16-5-7)9(1-2-14-10)17-8-4-11(18)15-6-8/h1-3,5,8H,4,6H2,(H,14,17)(H,15,18).
What are the key properties of 4-[(7-bromo-1,5-naphthyridin-4-yl)amino]pyrrolidin-2-one?
4-[(7-bromo-1,5-naphthyridin-4-yl)amino]pyrrolidin-2-one has a molecular weight of 307.15 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(7-bromo-1,5-naphthyridin-4-yl)amino]pyrrolidin-2-one is sourced from PubChem (CID 105023349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).