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

C14H21Cl2N3O — CID 102760175

IUPAC2-[1-[3,5-dichloro-6-(propylamino)-2-pyridinyl]pyrrolidin-3-yl]ethanol
SMILESCCCNc1nc(N2CCC(CCO)C2)c(Cl)cc1Cl
InChIInChI=1S/C14H21Cl2N3O/c1-2-5-17-13-11(15)8-12(16)14(18-13)19-6-3-10(9-19)4-7-20/h8,10,20H,2-7,9H2,1H3,(H,17,18)
InChIKeySYXRWSYSFPQSHX-UHFFFAOYSA-N
MW318.25 g/mol
LogP3.42
Rot. Bonds6

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

2-[1-[3,5-dichloro-6-(propylamino)-2-pyridinyl]pyrrolidin-3-yl]ethanol (PubChem CID 102760175) has the molecular formula C14H21Cl2N3O and a molecular weight of 318.25 g/mol. Its IUPAC name is 2-[1-[3,5-dichloro-6-(propylamino)-2-pyridinyl]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-[3,5-dichloro-6-(propylamino)-2-pyridinyl]pyrrolidin-3-yl]ethanol
PubChem CID102760175
Molecular FormulaC14H21Cl2N3O
Molecular Weight318.25 g/mol
Exact Mass317.11
IUPAC Name2-[1-[3,5-dichloro-6-(propylamino)-2-pyridinyl]pyrrolidin-3-yl]ethanol
SMILESCCCNc1nc(N2CCC(CCO)C2)c(Cl)cc1Cl
InChIInChI=1S/C14H21Cl2N3O/c1-2-5-17-13-11(15)8-12(16)14(18-13)19-6-3-10(9-19)4-7-20/h8,10,20H,2-7,9H2,1H3,(H,17,18)
InChIKeySYXRWSYSFPQSHX-UHFFFAOYSA-N
XLogP3.42
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.25
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[3,5-dichloro-6-(propylamino)-2-pyridinyl]pyrrolidin-3-yl]methanol
CID 102759541
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
3,5-dichloro-6-N-(cyclobutylmethyl)-2-N-propylpyridine-2,6-diamine
CID 102755904
2-[1-(2-amino-5-chloropyrimidin-4-yl)pyrrolidin-3-yl]ethanol
CID 114802870
3,5-dichloro-N-methyl-6-(4-propylazepan-1-yl)pyridin-2-amine
CID 102758516
4-[3,5-dichloro-6-(propylamino)-2-pyridinyl]-1-methylpiperazin-2-one
CID 102758611
[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
3,5-dichloro-6-(2,2-dimethylpyrrolidin-1-yl)-N-propylpyridin-2-amine
CID 102758185

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3,5-dichloro-6-(propylamino)-2-pyridinyl]pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[1-[3,5-dichloro-6-(propylamino)-2-pyridinyl]pyrrolidin-3-yl]ethanol (CID 102760175) is 2-[1-[3,5-dichloro-6-(propylamino)-2-pyridinyl]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-[3,5-dichloro-6-(propylamino)-2-pyridinyl]pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[1-[3,5-dichloro-6-(propylamino)-2-pyridinyl]pyrrolidin-3-yl]ethanol is CCCNc1nc(N2CCC(CCO)C2)c(Cl)cc1Cl.
What is the InChIKey of 2-[1-[3,5-dichloro-6-(propylamino)-2-pyridinyl]pyrrolidin-3-yl]ethanol?
The InChIKey is SYXRWSYSFPQSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Cl2N3O/c1-2-5-17-13-11(15)8-12(16)14(18-13)19-6-3-10(9-19)4-7-20/h8,10,20H,2-7,9H2,1H3,(H,17,18).
What are the key properties of 2-[1-[3,5-dichloro-6-(propylamino)-2-pyridinyl]pyrrolidin-3-yl]ethanol?
2-[1-[3,5-dichloro-6-(propylamino)-2-pyridinyl]pyrrolidin-3-yl]ethanol has a molecular weight of 318.25 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3,5-dichloro-6-(propylamino)-2-pyridinyl]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 102760175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).