1-(2-chloro-4-pyridinyl)-N,N-diethylpyrrolidin-3-amine

C13H20ClN3 — CID 103757127

IUPAC1-(2-chloro-4-pyridinyl)-N,N-diethylpyrrolidin-3-amine
SMILESCCN(CC)C1CCN(c2ccnc(Cl)c2)C1
InChIInChI=1S/C13H20ClN3/c1-3-16(4-2)12-6-8-17(10-12)11-5-7-15-13(14)9-11/h5,7,9,12H,3-4,6,8,10H2,1-2H3
InChIKeyPMOKZJAIIRLOMB-UHFFFAOYSA-N
MW253.78 g/mol
LogP2.66
Rot. Bonds4

About 1-(2-chloro-4-pyridinyl)-N,N-diethylpyrrolidin-3-amine

1-(2-chloro-4-pyridinyl)-N,N-diethylpyrrolidin-3-amine (PubChem CID 103757127) has the molecular formula C13H20ClN3 and a molecular weight of 253.78 g/mol. Its IUPAC name is 1-(2-chloro-4-pyridinyl)-N,N-diethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(2-chloro-4-pyridinyl)-N,N-diethylpyrrolidin-3-amine
PubChem CID103757127
Molecular FormulaC13H20ClN3
Molecular Weight253.78 g/mol
Exact Mass253.13
IUPAC Name1-(2-chloro-4-pyridinyl)-N,N-diethylpyrrolidin-3-amine
SMILESCCN(CC)C1CCN(c2ccnc(Cl)c2)C1
InChIInChI=1S/C13H20ClN3/c1-3-16(4-2)12-6-8-17(10-12)11-5-7-15-13(14)9-11/h5,7,9,12H,3-4,6,8,10H2,1-2H3
InChIKeyPMOKZJAIIRLOMB-UHFFFAOYSA-N
XLogP2.66
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.78
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-pyridinyl)-N,N-diethylpyrrolidin-3-amine?
The IUPAC name of 1-(2-chloro-4-pyridinyl)-N,N-diethylpyrrolidin-3-amine (CID 103757127) is 1-(2-chloro-4-pyridinyl)-N,N-diethylpyrrolidin-3-amine.
What is the SMILES notation for 1-(2-chloro-4-pyridinyl)-N,N-diethylpyrrolidin-3-amine?
The canonical SMILES for 1-(2-chloro-4-pyridinyl)-N,N-diethylpyrrolidin-3-amine is CCN(CC)C1CCN(c2ccnc(Cl)c2)C1.
What is the InChIKey of 1-(2-chloro-4-pyridinyl)-N,N-diethylpyrrolidin-3-amine?
The InChIKey is PMOKZJAIIRLOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3/c1-3-16(4-2)12-6-8-17(10-12)11-5-7-15-13(14)9-11/h5,7,9,12H,3-4,6,8,10H2,1-2H3.
What are the key properties of 1-(2-chloro-4-pyridinyl)-N,N-diethylpyrrolidin-3-amine?
1-(2-chloro-4-pyridinyl)-N,N-diethylpyrrolidin-3-amine has a molecular weight of 253.78 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-pyridinyl)-N,N-diethylpyrrolidin-3-amine is sourced from PubChem (CID 103757127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).