3-bromo-5-methoxypyridine;5-[1-(cyclohexylamino)propyl]pyridin-3-ol;1-(5-methoxy-3-pyridinyl)propan-1-ol;N-[1-(5-methoxy-3-pyridinyl)propyl]cyclohexanamine

C44H65BrN6O5 — CID 160746575

IUPAC3-bromo-5-methoxypyridine;5-[1-(cyclohexylamino)propyl]pyridin-3-ol;1-(5-methoxy-3-pyridinyl)propan-1-ol;N-[1-(5-methoxy-3-pyridinyl)propyl]cyclohexanamine
SMILESCCC(NC1CCCCC1)c1cncc(O)c1.CCC(NC1CCCCC1)c1cncc(OC)c1.CCC(O)c1cncc(OC)c1.COc1cncc(Br)c1
InChIInChI=1S/C15H24N2O.C14H22N2O.C9H13NO2.C6H6BrNO/c1-3-15(17-13-7-5-4-6-8-13)12-9-14(18-2)11-16-10-12;1-2-14(11-8-13(17)10-15-9-11)16-12-6-4-3-5-7-12;1-3-9(11)7-4-8(12-2)6-10-5-7;1-9-6-2-5(7)3-8-4-6/h9-11,13,15,17H,3-8H2,1-2H3;8-10,12,14,16-17H,2-7H2,1H3;4-6,9,11H,3H2,1-2H3;2-4H,1H3
InChIKeyRWGMCOISVAAYDY-UHFFFAOYSA-N
MW837.95 g/mol
LogP10.01
Rot. Bonds13

About 3-bromo-5-methoxypyridine;5-[1-(cyclohexylamino)propyl]pyridin-3-ol;1-(5-methoxy-3-pyridinyl)propan-1-ol;N-[1-(5-methoxy-3-pyridinyl)propyl]cyclohexanamine

3-bromo-5-methoxypyridine;5-[1-(cyclohexylamino)propyl]pyridin-3-ol;1-(5-methoxy-3-pyridinyl)propan-1-ol;N-[1-(5-methoxy-3-pyridinyl)propyl]cyclohexanamine (PubChem CID 160746575) has the molecular formula C44H65BrN6O5 and a molecular weight of 837.95 g/mol. Its IUPAC name is 3-bromo-5-methoxypyridine;5-[1-(cyclohexylamino)propyl]pyridin-3-ol;1-(5-methoxy-3-pyridinyl)propan-1-ol;N-[1-(5-methoxy-3-pyridinyl)propyl]cyclohexanamine.

Molecular Properties

Compound Name3-bromo-5-methoxypyridine;5-[1-(cyclohexylamino)propyl]pyridin-3-ol;1-(5-methoxy-3-pyridinyl)propan-1-ol;N-[1-(5-methoxy-3-pyridinyl)propyl]cyclohexanamine
PubChem CID160746575
Molecular FormulaC44H65BrN6O5
Molecular Weight837.95 g/mol
Exact Mass836.42
IUPAC Name3-bromo-5-methoxypyridine;5-[1-(cyclohexylamino)propyl]pyridin-3-ol;1-(5-methoxy-3-pyridinyl)propan-1-ol;N-[1-(5-methoxy-3-pyridinyl)propyl]cyclohexanamine
SMILESCCC(NC1CCCCC1)c1cncc(O)c1.CCC(NC1CCCCC1)c1cncc(OC)c1.CCC(O)c1cncc(OC)c1.COc1cncc(Br)c1
InChIInChI=1S/C15H24N2O.C14H22N2O.C9H13NO2.C6H6BrNO/c1-3-15(17-13-7-5-4-6-8-13)12-9-14(18-2)11-16-10-12;1-2-14(11-8-13(17)10-15-9-11)16-12-6-4-3-5-7-12;1-3-9(11)7-4-8(12-2)6-10-5-7;1-9-6-2-5(7)3-8-4-6/h9-11,13,15,17H,3-8H2,1-2H3;8-10,12,14,16-17H,2-7H2,1H3;4-6,9,11H,3H2,1-2H3;2-4H,1H3
InChIKeyRWGMCOISVAAYDY-UHFFFAOYSA-N
XLogP10.01
TPSA143.77 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds13
Heavy Atoms56
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500837.95
LogP ≤ 510.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze 3-bromo-5-methoxypyridine;5-[1-(cyclohexylamino)propyl]pyridin-3-ol;1-(5-methoxy-3-pyridinyl)propan-1-ol;N-[1-(5-methoxy-3-pyridinyl)propyl]cyclohexanamine with MolForge

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Related Compounds

1-(5-bromo-3-pyridinyl)-N-cycloheptylethane-1,2-diamine
CID 113469387
methyl 2-(5-bromo-3-pyridinyl)-2-(cyclopentylamino)acetate
CID 113469426
[cyclooctyl-(5-methoxy-3-pyridinyl)methyl]hydrazine
CID 105255257
2-cyclobutyl-1-(5-ethoxy-3-pyridinyl)ethanol
CID 103170200
3-cyclopentyl-1-(5-methoxy-3-pyridinyl)-N-methylpropan-1-amine
CID 105025992
3-cyclopentyl-1-(5-methoxy-3-pyridinyl)-N-propylpropan-1-amine
CID 105025931
(5-methoxy-3-pyridinyl)-(oxan-2-yl)methanol
CID 115828914
2-(cyclohexylamino)-1-(3-methoxyphenyl)butan-1-ol
CID 82314292
4-methoxy-1-(5-methoxy-3-pyridinyl)-3-methylbutan-1-ol
CID 105121262
(5-methoxy-3-pyridinyl)-[3-(trifluoromethyl)cyclohexyl]methanol
CID 105121215
1-(5-bromo-3-pyridinyl)-3-ethylpentan-1-ol
CID 82919855
2-(cyclopentylamino)-1-(3,5-dimethoxyphenyl)ethanol
CID 110922411

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methoxypyridine;5-[1-(cyclohexylamino)propyl]pyridin-3-ol;1-(5-methoxy-3-pyridinyl)propan-1-ol;N-[1-(5-methoxy-3-pyridinyl)propyl]cyclohexanamine?
The IUPAC name of 3-bromo-5-methoxypyridine;5-[1-(cyclohexylamino)propyl]pyridin-3-ol;1-(5-methoxy-3-pyridinyl)propan-1-ol;N-[1-(5-methoxy-3-pyridinyl)propyl]cyclohexanamine (CID 160746575) is 3-bromo-5-methoxypyridine;5-[1-(cyclohexylamino)propyl]pyridin-3-ol;1-(5-methoxy-3-pyridinyl)propan-1-ol;N-[1-(5-methoxy-3-pyridinyl)propyl]cyclohexanamine.
What is the SMILES notation for 3-bromo-5-methoxypyridine;5-[1-(cyclohexylamino)propyl]pyridin-3-ol;1-(5-methoxy-3-pyridinyl)propan-1-ol;N-[1-(5-methoxy-3-pyridinyl)propyl]cyclohexanamine?
The canonical SMILES for 3-bromo-5-methoxypyridine;5-[1-(cyclohexylamino)propyl]pyridin-3-ol;1-(5-methoxy-3-pyridinyl)propan-1-ol;N-[1-(5-methoxy-3-pyridinyl)propyl]cyclohexanamine is CCC(NC1CCCCC1)c1cncc(O)c1.CCC(NC1CCCCC1)c1cncc(OC)c1.CCC(O)c1cncc(OC)c1.COc1cncc(Br)c1.
What is the InChIKey of 3-bromo-5-methoxypyridine;5-[1-(cyclohexylamino)propyl]pyridin-3-ol;1-(5-methoxy-3-pyridinyl)propan-1-ol;N-[1-(5-methoxy-3-pyridinyl)propyl]cyclohexanamine?
The InChIKey is RWGMCOISVAAYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O.C14H22N2O.C9H13NO2.C6H6BrNO/c1-3-15(17-13-7-5-4-6-8-13)12-9-14(18-2)11-16-10-12;1-2-14(11-8-13(17)10-15-9-11)16-12-6-4-3-5-7-12;1-3-9(11)7-4-8(12-2)6-10-5-7;1-9-6-2-5(7)3-8-4-6/h9-11,13,15,17H,3-8H2,1-2H3;8-10,12,14,16-17H,2-7H2,1H3;4-6,9,11H,3H2,1-2H3;2-4H,1H3.
What are the key properties of 3-bromo-5-methoxypyridine;5-[1-(cyclohexylamino)propyl]pyridin-3-ol;1-(5-methoxy-3-pyridinyl)propan-1-ol;N-[1-(5-methoxy-3-pyridinyl)propyl]cyclohexanamine?
3-bromo-5-methoxypyridine;5-[1-(cyclohexylamino)propyl]pyridin-3-ol;1-(5-methoxy-3-pyridinyl)propan-1-ol;N-[1-(5-methoxy-3-pyridinyl)propyl]cyclohexanamine has a molecular weight of 837.95 g/mol, XLogP of 10.01, 13 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-methoxypyridine;5-[1-(cyclohexylamino)propyl]pyridin-3-ol;1-(5-methoxy-3-pyridinyl)propan-1-ol;N-[1-(5-methoxy-3-pyridinyl)propyl]cyclohexanamine is sourced from PubChem (CID 160746575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).