[1-[3,5-dichloro-6-(propylamino)-2-pyridinyl]pyrrolidin-3-yl]methanol

C13H19Cl2N3O — CID 102759541

IUPAC[1-[3,5-dichloro-6-(propylamino)-2-pyridinyl]pyrrolidin-3-yl]methanol
SMILESCCCNc1nc(N2CCC(CO)C2)c(Cl)cc1Cl
InChIInChI=1S/C13H19Cl2N3O/c1-2-4-16-12-10(14)6-11(15)13(17-12)18-5-3-9(7-18)8-19/h6,9,19H,2-5,7-8H2,1H3,(H,16,17)
InChIKeyODVOLMFWDXVGIB-UHFFFAOYSA-N
MW304.22 g/mol
LogP3.03
Rot. Bonds5

About [1-[3,5-dichloro-6-(propylamino)-2-pyridinyl]pyrrolidin-3-yl]methanol

[1-[3,5-dichloro-6-(propylamino)-2-pyridinyl]pyrrolidin-3-yl]methanol (PubChem CID 102759541) has the molecular formula C13H19Cl2N3O and a molecular weight of 304.22 g/mol. Its IUPAC name is [1-[3,5-dichloro-6-(propylamino)-2-pyridinyl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[3,5-dichloro-6-(propylamino)-2-pyridinyl]pyrrolidin-3-yl]methanol
PubChem CID102759541
Molecular FormulaC13H19Cl2N3O
Molecular Weight304.22 g/mol
Exact Mass303.09
IUPAC Name[1-[3,5-dichloro-6-(propylamino)-2-pyridinyl]pyrrolidin-3-yl]methanol
SMILESCCCNc1nc(N2CCC(CO)C2)c(Cl)cc1Cl
InChIInChI=1S/C13H19Cl2N3O/c1-2-4-16-12-10(14)6-11(15)13(17-12)18-5-3-9(7-18)8-19/h6,9,19H,2-5,7-8H2,1H3,(H,16,17)
InChIKeyODVOLMFWDXVGIB-UHFFFAOYSA-N
XLogP3.03
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.22
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[3,5-dichloro-6-(propylamino)-2-pyridinyl]pyrrolidin-3-yl]ethanol
CID 102760175
3,5-dichloro-N-propyl-6-pyrrolidin-1-ylpyridin-2-amine
CID 102755297
3,5-dichloro-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-propylpyridin-2-amine
CID 102760165
3,5-dichloro-N-methyl-6-(4-propylpiperidin-1-yl)pyridin-2-amine
CID 102757811
4-[3,5-dichloro-6-(propylamino)-2-pyridinyl]piperazine-2,6-dione
CID 102758853
[1-(3,5,6-trichloro-2-pyridinyl)piperidin-3-yl]methanol
CID 102750420
3,5-dichloro-N-ethyl-6-(4-methoxypiperidin-1-yl)pyridin-2-amine
CID 102755942
4-[3,5-dichloro-6-(propylamino)-2-pyridinyl]-1-methylpiperazin-2-one
CID 102758611
[1-[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]pyrrolidin-3-yl]methanol
CID 103329632
[1-[[5-chloro-6-(propylamino)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]methanol
CID 115966945
[3,5-dichloro-6-(4-ethylpiperidin-1-yl)-2-pyridinyl]hydrazine
CID 102761732
6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3,5-dichloro-N-ethylpyridin-2-amine
CID 102759337

Frequently Asked Questions

What is the IUPAC name of [1-[3,5-dichloro-6-(propylamino)-2-pyridinyl]pyrrolidin-3-yl]methanol?
The IUPAC name of [1-[3,5-dichloro-6-(propylamino)-2-pyridinyl]pyrrolidin-3-yl]methanol (CID 102759541) is [1-[3,5-dichloro-6-(propylamino)-2-pyridinyl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-[3,5-dichloro-6-(propylamino)-2-pyridinyl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-[3,5-dichloro-6-(propylamino)-2-pyridinyl]pyrrolidin-3-yl]methanol is CCCNc1nc(N2CCC(CO)C2)c(Cl)cc1Cl.
What is the InChIKey of [1-[3,5-dichloro-6-(propylamino)-2-pyridinyl]pyrrolidin-3-yl]methanol?
The InChIKey is ODVOLMFWDXVGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2N3O/c1-2-4-16-12-10(14)6-11(15)13(17-12)18-5-3-9(7-18)8-19/h6,9,19H,2-5,7-8H2,1H3,(H,16,17).
What are the key properties of [1-[3,5-dichloro-6-(propylamino)-2-pyridinyl]pyrrolidin-3-yl]methanol?
[1-[3,5-dichloro-6-(propylamino)-2-pyridinyl]pyrrolidin-3-yl]methanol has a molecular weight of 304.22 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3,5-dichloro-6-(propylamino)-2-pyridinyl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 102759541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).