5-amino-1-[3-(2-chloro-5-methylphenoxy)propyl]pyridin-2-one

C15H17ClN2O2 — CID 43260232

IUPAC5-amino-1-[3-(2-chloro-5-methylphenoxy)propyl]pyridin-2-one
SMILESCc1ccc(Cl)c(OCCCn2cc(N)ccc2=O)c1
InChIInChI=1S/C15H17ClN2O2/c1-11-3-5-13(16)14(9-11)20-8-2-7-18-10-12(17)4-6-15(18)19/h3-6,9-10H,2,7-8,17H2,1H3
InChIKeyPBSROOQDFCGJSC-UHFFFAOYSA-N
MW292.77 g/mol
LogP2.86
Rot. Bonds5

About 5-amino-1-[3-(2-chloro-5-methylphenoxy)propyl]pyridin-2-one

5-amino-1-[3-(2-chloro-5-methylphenoxy)propyl]pyridin-2-one (PubChem CID 43260232) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 5-amino-1-[3-(2-chloro-5-methylphenoxy)propyl]pyridin-2-one.

Molecular Properties

Compound Name5-amino-1-[3-(2-chloro-5-methylphenoxy)propyl]pyridin-2-one
PubChem CID43260232
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name5-amino-1-[3-(2-chloro-5-methylphenoxy)propyl]pyridin-2-one
SMILESCc1ccc(Cl)c(OCCCn2cc(N)ccc2=O)c1
InChIInChI=1S/C15H17ClN2O2/c1-11-3-5-13(16)14(9-11)20-8-2-7-18-10-12(17)4-6-15(18)19/h3-6,9-10H,2,7-8,17H2,1H3
InChIKeyPBSROOQDFCGJSC-UHFFFAOYSA-N
XLogP2.86
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-1-[3-(4-bromo-2,5-dichlorophenoxy)propyl]pyridin-2-one
CID 107656019
5-amino-1-[2-(2,3,5-trimethylphenoxy)ethyl]pyridin-2-one
CID 43260140
5-amino-1-[3-(4-bromo-3-methylphenoxy)propyl]pyridin-2-one
CID 83133851
1-chloro-4-methyl-2-(3-methylsulfonylpropoxy)benzene
CID 71879390
5-amino-1-[3-[3-(2-methoxyethoxy)propoxy]propyl]pyridin-2-one
CID 103401156
1-chloro-2-[3-(2-methoxy-4-methylphenoxy)propoxy]-4-methylbenzene
CID 2899624
2-[2-(2-chloro-5-methylphenoxy)ethoxy]-5-methylaniline
CID 39399728
5-amino-1-[3-(3-fluorophenoxy)propyl]pyridin-2-one
CID 43259980
(3R)-1-[3-(2-chloro-5-methylphenoxy)propyl]-3-methylpiperidine
CID 2181266
5-amino-1-(3-aminopropyl)pyridin-2-one
CID 82503026
5-amino-1-[2-(6-methylindol-1-yl)ethyl]pyridin-2-one
CID 43259823
2-[3-(5-amino-2-oxo-1-pyridinyl)propoxy]-6-fluorobenzonitrile
CID 43609046

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[3-(2-chloro-5-methylphenoxy)propyl]pyridin-2-one?
The IUPAC name of 5-amino-1-[3-(2-chloro-5-methylphenoxy)propyl]pyridin-2-one (CID 43260232) is 5-amino-1-[3-(2-chloro-5-methylphenoxy)propyl]pyridin-2-one.
What is the SMILES notation for 5-amino-1-[3-(2-chloro-5-methylphenoxy)propyl]pyridin-2-one?
The canonical SMILES for 5-amino-1-[3-(2-chloro-5-methylphenoxy)propyl]pyridin-2-one is Cc1ccc(Cl)c(OCCCn2cc(N)ccc2=O)c1.
What is the InChIKey of 5-amino-1-[3-(2-chloro-5-methylphenoxy)propyl]pyridin-2-one?
The InChIKey is PBSROOQDFCGJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-11-3-5-13(16)14(9-11)20-8-2-7-18-10-12(17)4-6-15(18)19/h3-6,9-10H,2,7-8,17H2,1H3.
What are the key properties of 5-amino-1-[3-(2-chloro-5-methylphenoxy)propyl]pyridin-2-one?
5-amino-1-[3-(2-chloro-5-methylphenoxy)propyl]pyridin-2-one has a molecular weight of 292.77 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[3-(2-chloro-5-methylphenoxy)propyl]pyridin-2-one is sourced from PubChem (CID 43260232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).