N-[1-(4-iodophenyl)ethyl]-2-pyrrolidin-1-ylpyridin-3-amine

C17H20IN3 — CID 43779579

IUPACN-[1-(4-iodophenyl)ethyl]-2-pyrrolidin-1-ylpyridin-3-amine
SMILESCC(Nc1cccnc1N1CCCC1)c1ccc(I)cc1
InChIInChI=1S/C17H20IN3/c1-13(14-6-8-15(18)9-7-14)20-16-5-4-10-19-17(16)21-11-2-3-12-21/h4-10,13,20H,2-3,11-12H2,1H3
InChIKeyJNXAIFMNQFFOEX-UHFFFAOYSA-N
MW393.27 g/mol
LogP4.46
Rot. Bonds4

About N-[1-(4-iodophenyl)ethyl]-2-pyrrolidin-1-ylpyridin-3-amine

N-[1-(4-iodophenyl)ethyl]-2-pyrrolidin-1-ylpyridin-3-amine (PubChem CID 43779579) has the molecular formula C17H20IN3 and a molecular weight of 393.27 g/mol. Its IUPAC name is N-[1-(4-iodophenyl)ethyl]-2-pyrrolidin-1-ylpyridin-3-amine.

Molecular Properties

Compound NameN-[1-(4-iodophenyl)ethyl]-2-pyrrolidin-1-ylpyridin-3-amine
PubChem CID43779579
Molecular FormulaC17H20IN3
Molecular Weight393.27 g/mol
Exact Mass393.07
IUPAC NameN-[1-(4-iodophenyl)ethyl]-2-pyrrolidin-1-ylpyridin-3-amine
SMILESCC(Nc1cccnc1N1CCCC1)c1ccc(I)cc1
InChIInChI=1S/C17H20IN3/c1-13(14-6-8-15(18)9-7-14)20-16-5-4-10-19-17(16)21-11-2-3-12-21/h4-10,13,20H,2-3,11-12H2,1H3
InChIKeyJNXAIFMNQFFOEX-UHFFFAOYSA-N
XLogP4.46
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.27
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-iodophenyl)ethyl]-2-pyrrolidin-1-ylpyridin-3-amine?
The IUPAC name of N-[1-(4-iodophenyl)ethyl]-2-pyrrolidin-1-ylpyridin-3-amine (CID 43779579) is N-[1-(4-iodophenyl)ethyl]-2-pyrrolidin-1-ylpyridin-3-amine.
What is the SMILES notation for N-[1-(4-iodophenyl)ethyl]-2-pyrrolidin-1-ylpyridin-3-amine?
The canonical SMILES for N-[1-(4-iodophenyl)ethyl]-2-pyrrolidin-1-ylpyridin-3-amine is CC(Nc1cccnc1N1CCCC1)c1ccc(I)cc1.
What is the InChIKey of N-[1-(4-iodophenyl)ethyl]-2-pyrrolidin-1-ylpyridin-3-amine?
The InChIKey is JNXAIFMNQFFOEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20IN3/c1-13(14-6-8-15(18)9-7-14)20-16-5-4-10-19-17(16)21-11-2-3-12-21/h4-10,13,20H,2-3,11-12H2,1H3.
What are the key properties of N-[1-(4-iodophenyl)ethyl]-2-pyrrolidin-1-ylpyridin-3-amine?
N-[1-(4-iodophenyl)ethyl]-2-pyrrolidin-1-ylpyridin-3-amine has a molecular weight of 393.27 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-iodophenyl)ethyl]-2-pyrrolidin-1-ylpyridin-3-amine is sourced from PubChem (CID 43779579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).