3,5-dichloro-N-propyl-6-pyrrolidin-1-ylpyridin-2-amine

C12H17Cl2N3 — CID 102755297

IUPAC3,5-dichloro-N-propyl-6-pyrrolidin-1-ylpyridin-2-amine
SMILESCCCNc1nc(N2CCCC2)c(Cl)cc1Cl
InChIInChI=1S/C12H17Cl2N3/c1-2-5-15-11-9(13)8-10(14)12(16-11)17-6-3-4-7-17/h8H,2-7H2,1H3,(H,15,16)
InChIKeyCCDKVIQBCULYSY-UHFFFAOYSA-N
MW274.19 g/mol
LogP3.81
Rot. Bonds4

About 3,5-dichloro-N-propyl-6-pyrrolidin-1-ylpyridin-2-amine

3,5-dichloro-N-propyl-6-pyrrolidin-1-ylpyridin-2-amine (PubChem CID 102755297) has the molecular formula C12H17Cl2N3 and a molecular weight of 274.19 g/mol. Its IUPAC name is 3,5-dichloro-N-propyl-6-pyrrolidin-1-ylpyridin-2-amine.

Molecular Properties

Compound Name3,5-dichloro-N-propyl-6-pyrrolidin-1-ylpyridin-2-amine
PubChem CID102755297
Molecular FormulaC12H17Cl2N3
Molecular Weight274.19 g/mol
Exact Mass273.08
IUPAC Name3,5-dichloro-N-propyl-6-pyrrolidin-1-ylpyridin-2-amine
SMILESCCCNc1nc(N2CCCC2)c(Cl)cc1Cl
InChIInChI=1S/C12H17Cl2N3/c1-2-5-15-11-9(13)8-10(14)12(16-11)17-6-3-4-7-17/h8H,2-7H2,1H3,(H,15,16)
InChIKeyCCDKVIQBCULYSY-UHFFFAOYSA-N
XLogP3.81
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.19
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3,5-dichloro-6-(propylamino)-2-pyridinyl]-1-methylpiperazin-2-one
CID 102758611
3,5-dichloro-6-(2,2-dimethylpyrrolidin-1-yl)-N-propylpyridin-2-amine
CID 102758185
4-[3,5-dichloro-6-(propylamino)-2-pyridinyl]piperazine-2,6-dione
CID 102758853
3,5-dichloro-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-propylpyridin-2-amine
CID 102760165
[1-[3,5-dichloro-6-(propylamino)-2-pyridinyl]pyrrolidin-3-yl]methanol
CID 102759541
6-(azepan-1-yl)-3,5-dichloro-N-methylpyridin-2-amine
CID 102755321
2-[1-[3,5-dichloro-6-(propylamino)-2-pyridinyl]pyrrolidin-3-yl]ethanol
CID 102760175
3,5-dichloro-N-ethyl-6-morpholin-4-ylpyridin-2-amine
CID 102755300
5-chloro-4-piperidin-1-yl-N-propylpyrimidin-2-amine
CID 80764211
6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3,5-dichloro-N-propylpyridin-2-amine
CID 102757483
3,5-dichloro-6-N-(2-methylcyclohexyl)-2-N-propylpyridine-2,6-diamine
CID 102755687
3,5-dichloro-6-(3-methylpyrazol-1-yl)-N-propylpyridin-2-amine
CID 102760287

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-propyl-6-pyrrolidin-1-ylpyridin-2-amine?
The IUPAC name of 3,5-dichloro-N-propyl-6-pyrrolidin-1-ylpyridin-2-amine (CID 102755297) is 3,5-dichloro-N-propyl-6-pyrrolidin-1-ylpyridin-2-amine.
What is the SMILES notation for 3,5-dichloro-N-propyl-6-pyrrolidin-1-ylpyridin-2-amine?
The canonical SMILES for 3,5-dichloro-N-propyl-6-pyrrolidin-1-ylpyridin-2-amine is CCCNc1nc(N2CCCC2)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-N-propyl-6-pyrrolidin-1-ylpyridin-2-amine?
The InChIKey is CCDKVIQBCULYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2N3/c1-2-5-15-11-9(13)8-10(14)12(16-11)17-6-3-4-7-17/h8H,2-7H2,1H3,(H,15,16).
What are the key properties of 3,5-dichloro-N-propyl-6-pyrrolidin-1-ylpyridin-2-amine?
3,5-dichloro-N-propyl-6-pyrrolidin-1-ylpyridin-2-amine has a molecular weight of 274.19 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-propyl-6-pyrrolidin-1-ylpyridin-2-amine is sourced from PubChem (CID 102755297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).