6-(4-pyrrolidin-2-ylphenyl)pyridin-3-amine;dihydrochloride

C15H19Cl2N3 — CID 154901065

IUPAC6-(4-pyrrolidin-2-ylphenyl)pyridin-3-amine;dihydrochloride
SMILESCl.Cl.Nc1ccc(-c2ccc(C3CCCN3)cc2)nc1
InChIInChI=1S/C15H17N3.2ClH/c16-13-7-8-15(18-10-13)12-5-3-11(4-6-12)14-2-1-9-17-14;;/h3-8,10,14,17H,1-2,9,16H2;2*1H
InChIKeyRRJQBBCPRGGUSS-UHFFFAOYSA-N
MW312.24 g/mol
LogP3.60
Rot. Bonds2

About 6-(4-pyrrolidin-2-ylphenyl)pyridin-3-amine;dihydrochloride

6-(4-pyrrolidin-2-ylphenyl)pyridin-3-amine;dihydrochloride (PubChem CID 154901065) has the molecular formula C15H19Cl2N3 and a molecular weight of 312.24 g/mol. Its IUPAC name is 6-(4-pyrrolidin-2-ylphenyl)pyridin-3-amine;dihydrochloride.

Molecular Properties

Compound Name6-(4-pyrrolidin-2-ylphenyl)pyridin-3-amine;dihydrochloride
PubChem CID154901065
Molecular FormulaC15H19Cl2N3
Molecular Weight312.24 g/mol
Exact Mass311.10
IUPAC Name6-(4-pyrrolidin-2-ylphenyl)pyridin-3-amine;dihydrochloride
SMILESCl.Cl.Nc1ccc(-c2ccc(C3CCCN3)cc2)nc1
InChIInChI=1S/C15H17N3.2ClH/c16-13-7-8-15(18-10-13)12-5-3-11(4-6-12)14-2-1-9-17-14;;/h3-8,10,14,17H,1-2,9,16H2;2*1H
InChIKeyRRJQBBCPRGGUSS-UHFFFAOYSA-N
XLogP3.60
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.24
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-5-pyrrolidin-2-ylpyridine;dihydrochloride
CID 170920850
(2R)-2-[4-(4-methylphenyl)phenyl]pyrrolidine
CID 66519668
2-(1-methylpyrazol-4-yl)-5-[(2R)-piperidin-2-yl]pyridine
CID 124641020
(2R)-2-(4-methylphenyl)pyrrolidine
CID 7047871
2-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-5-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]pyridine
CID 24950799
4-[(2R)-pyrrolidin-2-yl]pyridine;hydrochloride
CID 171195835
5-piperidin-2-ylpyrimidin-2-amine
CID 82409904
2-chloro-5-[(2S)-piperidin-2-yl]pyridine;dihydrochloride
CID 164890613
2-chloro-5-[(2S)-piperidin-2-yl]pyridine;hydrochloride
CID 171194804
(2S)-2-(4-chlorophenyl)pyrrolidine
CID 7009380
ethane;6-(4-methylphenyl)pyridin-3-amine
CID 145467469
(2R)-2-[4-(4-methylphenyl)phenyl]piperidine
CID 165347942

Frequently Asked Questions

What is the IUPAC name of 6-(4-pyrrolidin-2-ylphenyl)pyridin-3-amine;dihydrochloride?
The IUPAC name of 6-(4-pyrrolidin-2-ylphenyl)pyridin-3-amine;dihydrochloride (CID 154901065) is 6-(4-pyrrolidin-2-ylphenyl)pyridin-3-amine;dihydrochloride.
What is the SMILES notation for 6-(4-pyrrolidin-2-ylphenyl)pyridin-3-amine;dihydrochloride?
The canonical SMILES for 6-(4-pyrrolidin-2-ylphenyl)pyridin-3-amine;dihydrochloride is Cl.Cl.Nc1ccc(-c2ccc(C3CCCN3)cc2)nc1.
What is the InChIKey of 6-(4-pyrrolidin-2-ylphenyl)pyridin-3-amine;dihydrochloride?
The InChIKey is RRJQBBCPRGGUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3.2ClH/c16-13-7-8-15(18-10-13)12-5-3-11(4-6-12)14-2-1-9-17-14;;/h3-8,10,14,17H,1-2,9,16H2;2*1H.
What are the key properties of 6-(4-pyrrolidin-2-ylphenyl)pyridin-3-amine;dihydrochloride?
6-(4-pyrrolidin-2-ylphenyl)pyridin-3-amine;dihydrochloride has a molecular weight of 312.24 g/mol, XLogP of 3.60, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-pyrrolidin-2-ylphenyl)pyridin-3-amine;dihydrochloride is sourced from PubChem (CID 154901065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).