3,5-dichloro-6-(1-methylpiperidin-4-yl)oxy-N-propylpyridin-2-amine

C14H21Cl2N3O — CID 102760875

IUPAC3,5-dichloro-6-(1-methylpiperidin-4-yl)oxy-N-propylpyridin-2-amine
SMILESCCCNc1nc(OC2CCN(C)CC2)c(Cl)cc1Cl
InChIInChI=1S/C14H21Cl2N3O/c1-3-6-17-13-11(15)9-12(16)14(18-13)20-10-4-7-19(2)8-5-10/h9-10H,3-8H2,1-2H3,(H,17,18)
InChIKeySEOSSQMFMVGIDQ-UHFFFAOYSA-N
MW318.25 g/mol
LogP3.68
Rot. Bonds5

About 3,5-dichloro-6-(1-methylpiperidin-4-yl)oxy-N-propylpyridin-2-amine

3,5-dichloro-6-(1-methylpiperidin-4-yl)oxy-N-propylpyridin-2-amine (PubChem CID 102760875) has the molecular formula C14H21Cl2N3O and a molecular weight of 318.25 g/mol. Its IUPAC name is 3,5-dichloro-6-(1-methylpiperidin-4-yl)oxy-N-propylpyridin-2-amine.

Molecular Properties

Compound Name3,5-dichloro-6-(1-methylpiperidin-4-yl)oxy-N-propylpyridin-2-amine
PubChem CID102760875
Molecular FormulaC14H21Cl2N3O
Molecular Weight318.25 g/mol
Exact Mass317.11
IUPAC Name3,5-dichloro-6-(1-methylpiperidin-4-yl)oxy-N-propylpyridin-2-amine
SMILESCCCNc1nc(OC2CCN(C)CC2)c(Cl)cc1Cl
InChIInChI=1S/C14H21Cl2N3O/c1-3-6-17-13-11(15)9-12(16)14(18-13)20-10-4-7-19(2)8-5-10/h9-10H,3-8H2,1-2H3,(H,17,18)
InChIKeySEOSSQMFMVGIDQ-UHFFFAOYSA-N
XLogP3.68
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.25
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-6-(1-methylpiperidin-4-yl)oxy-N-propylpyrimidin-4-amine
CID 80873812
3,5-dichloro-6-N-(cyclobutylmethyl)-2-N-propylpyridine-2,6-diamine
CID 102755904
2-ethyl-5-methyl-6-(1-methylpiperidin-4-yl)oxy-N-propylpyrimidin-4-amine
CID 80991118
3,5-dichloro-6-(2-cyclopropylethoxy)-N-propylpyridin-2-amine
CID 106207557
3,5-dichloro-6-N-(oxan-4-yl)-2-N-propylpyridine-2,6-diamine
CID 102756272
3,5-dichloro-6-(3-methylbutan-2-yloxy)-N-propylpyridin-2-amine
CID 102761074
3,5-dichloro-N-propyl-6-pyrrolidin-1-ylpyridin-2-amine
CID 102755297
3,5-dichloro-6-N-[2-[ethyl(methyl)amino]ethyl]-2-N-propylpyridine-2,6-diamine
CID 102757950
3,5-dichloro-6-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-N-propylpyridine-2,6-diamine
CID 102758066
5-chloro-4-(4,4-dimethylcyclohexyl)oxy-N-propylpyrimidin-2-amine
CID 114342894
3,5-dichloro-6-N-(3-fluoropropyl)-2-N-propylpyridine-2,6-diamine
CID 114267273
2-[1-[3,5-dichloro-6-(propylamino)-2-pyridinyl]pyrrolidin-3-yl]ethanol
CID 102760175

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-6-(1-methylpiperidin-4-yl)oxy-N-propylpyridin-2-amine?
The IUPAC name of 3,5-dichloro-6-(1-methylpiperidin-4-yl)oxy-N-propylpyridin-2-amine (CID 102760875) is 3,5-dichloro-6-(1-methylpiperidin-4-yl)oxy-N-propylpyridin-2-amine.
What is the SMILES notation for 3,5-dichloro-6-(1-methylpiperidin-4-yl)oxy-N-propylpyridin-2-amine?
The canonical SMILES for 3,5-dichloro-6-(1-methylpiperidin-4-yl)oxy-N-propylpyridin-2-amine is CCCNc1nc(OC2CCN(C)CC2)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-6-(1-methylpiperidin-4-yl)oxy-N-propylpyridin-2-amine?
The InChIKey is SEOSSQMFMVGIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Cl2N3O/c1-3-6-17-13-11(15)9-12(16)14(18-13)20-10-4-7-19(2)8-5-10/h9-10H,3-8H2,1-2H3,(H,17,18).
What are the key properties of 3,5-dichloro-6-(1-methylpiperidin-4-yl)oxy-N-propylpyridin-2-amine?
3,5-dichloro-6-(1-methylpiperidin-4-yl)oxy-N-propylpyridin-2-amine has a molecular weight of 318.25 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-6-(1-methylpiperidin-4-yl)oxy-N-propylpyridin-2-amine is sourced from PubChem (CID 102760875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).