5-chloro-3-[4-methoxy-1-(propylamino)butyl]pyridin-2-amine

C13H22ClN3O — CID 65092647

IUPAC5-chloro-3-[4-methoxy-1-(propylamino)butyl]pyridin-2-amine
SMILESCCCNC(CCCOC)c1cc(Cl)cnc1N
InChIInChI=1S/C13H22ClN3O/c1-3-6-16-12(5-4-7-18-2)11-8-10(14)9-17-13(11)15/h8-9,12,16H,3-7H2,1-2H3,(H2,15,17)
InChIKeySOMGUTOWJSZSRX-UHFFFAOYSA-N
MW271.79 g/mol
LogP2.78
Rot. Bonds8

About 5-chloro-3-[4-methoxy-1-(propylamino)butyl]pyridin-2-amine

5-chloro-3-[4-methoxy-1-(propylamino)butyl]pyridin-2-amine (PubChem CID 65092647) has the molecular formula C13H22ClN3O and a molecular weight of 271.79 g/mol. Its IUPAC name is 5-chloro-3-[4-methoxy-1-(propylamino)butyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-3-[4-methoxy-1-(propylamino)butyl]pyridin-2-amine
PubChem CID65092647
Molecular FormulaC13H22ClN3O
Molecular Weight271.79 g/mol
Exact Mass271.15
IUPAC Name5-chloro-3-[4-methoxy-1-(propylamino)butyl]pyridin-2-amine
SMILESCCCNC(CCCOC)c1cc(Cl)cnc1N
InChIInChI=1S/C13H22ClN3O/c1-3-6-16-12(5-4-7-18-2)11-8-10(14)9-17-13(11)15/h8-9,12,16H,3-7H2,1-2H3,(H2,15,17)
InChIKeySOMGUTOWJSZSRX-UHFFFAOYSA-N
XLogP2.78
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-3-[3-(2-methoxyethoxy)-1-(propylamino)propyl]pyridin-2-amine
CID 102928686
5-chloro-3-(1-hydrazinyl-3-methoxypropyl)pyridin-2-amine
CID 105206436
1-(2-chloro-5-fluorophenyl)-4-methoxy-N-propylbutan-1-amine
CID 105394999
1-(2-chloro-4-methylphenyl)-4-methoxy-N-propylbutan-1-amine
CID 106858855
1-(2,5-dichlorophenyl)-3-methoxy-N-propylpropan-1-amine
CID 62791896
1-(2-amino-5-chloro-3-pyridinyl)-N-ethyl-N',N'-dimethylpropane-1,3-diamine
CID 115346692
N-[1-(3,5-dichloro-2-pyridinyl)-2-methoxyethyl]propan-1-amine
CID 79780092
1-(2-ethoxyphenyl)-4-methoxy-N-propylbutan-1-amine
CID 65091772
4-methoxy-N-propyl-1-(2,3,4-trifluorophenyl)butan-1-amine
CID 65092172
1-(3-fluoro-4-pyridinyl)-4-methoxy-N-propylbutan-1-amine
CID 113447246
1-(2-chloro-3-fluorophenyl)-4-methoxy-N-propylbutan-1-amine
CID 105054857
1-(3-chloro-4-fluorophenyl)-4-methoxy-N-propylbutan-1-amine
CID 115608743

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[4-methoxy-1-(propylamino)butyl]pyridin-2-amine?
The IUPAC name of 5-chloro-3-[4-methoxy-1-(propylamino)butyl]pyridin-2-amine (CID 65092647) is 5-chloro-3-[4-methoxy-1-(propylamino)butyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-3-[4-methoxy-1-(propylamino)butyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-3-[4-methoxy-1-(propylamino)butyl]pyridin-2-amine is CCCNC(CCCOC)c1cc(Cl)cnc1N.
What is the InChIKey of 5-chloro-3-[4-methoxy-1-(propylamino)butyl]pyridin-2-amine?
The InChIKey is SOMGUTOWJSZSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN3O/c1-3-6-16-12(5-4-7-18-2)11-8-10(14)9-17-13(11)15/h8-9,12,16H,3-7H2,1-2H3,(H2,15,17).
What are the key properties of 5-chloro-3-[4-methoxy-1-(propylamino)butyl]pyridin-2-amine?
5-chloro-3-[4-methoxy-1-(propylamino)butyl]pyridin-2-amine has a molecular weight of 271.79 g/mol, XLogP of 2.78, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[4-methoxy-1-(propylamino)butyl]pyridin-2-amine is sourced from PubChem (CID 65092647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).