[3-chloro-6-(3-phenylpyrrolidin-1-yl)-2-pyridinyl]methanamine

C16H18ClN3 — CID 62298745

IUPAC[3-chloro-6-(3-phenylpyrrolidin-1-yl)-2-pyridinyl]methanamine
SMILESNCc1nc(N2CCC(c3ccccc3)C2)ccc1Cl
InChIInChI=1S/C16H18ClN3/c17-14-6-7-16(19-15(14)10-18)20-9-8-13(11-20)12-4-2-1-3-5-12/h1-7,13H,8-11,18H2
InChIKeyARNUKADTEOLNIY-UHFFFAOYSA-N
MW287.79 g/mol
LogP3.19
Rot. Bonds3

About [3-chloro-6-(3-phenylpyrrolidin-1-yl)-2-pyridinyl]methanamine

[3-chloro-6-(3-phenylpyrrolidin-1-yl)-2-pyridinyl]methanamine (PubChem CID 62298745) has the molecular formula C16H18ClN3 and a molecular weight of 287.79 g/mol. Its IUPAC name is [3-chloro-6-(3-phenylpyrrolidin-1-yl)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[3-chloro-6-(3-phenylpyrrolidin-1-yl)-2-pyridinyl]methanamine
PubChem CID62298745
Molecular FormulaC16H18ClN3
Molecular Weight287.79 g/mol
Exact Mass287.12
IUPAC Name[3-chloro-6-(3-phenylpyrrolidin-1-yl)-2-pyridinyl]methanamine
SMILESNCc1nc(N2CCC(c3ccccc3)C2)ccc1Cl
InChIInChI=1S/C16H18ClN3/c17-14-6-7-16(19-15(14)10-18)20-9-8-13(11-20)12-4-2-1-3-5-12/h1-7,13H,8-11,18H2
InChIKeyARNUKADTEOLNIY-UHFFFAOYSA-N
XLogP3.19
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-chloro-6-(3-phenylpyrrolidin-1-yl)-2-pyridinyl]methanamine?
The IUPAC name of [3-chloro-6-(3-phenylpyrrolidin-1-yl)-2-pyridinyl]methanamine (CID 62298745) is [3-chloro-6-(3-phenylpyrrolidin-1-yl)-2-pyridinyl]methanamine.
What is the SMILES notation for [3-chloro-6-(3-phenylpyrrolidin-1-yl)-2-pyridinyl]methanamine?
The canonical SMILES for [3-chloro-6-(3-phenylpyrrolidin-1-yl)-2-pyridinyl]methanamine is NCc1nc(N2CCC(c3ccccc3)C2)ccc1Cl.
What is the InChIKey of [3-chloro-6-(3-phenylpyrrolidin-1-yl)-2-pyridinyl]methanamine?
The InChIKey is ARNUKADTEOLNIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3/c17-14-6-7-16(19-15(14)10-18)20-9-8-13(11-20)12-4-2-1-3-5-12/h1-7,13H,8-11,18H2.
What are the key properties of [3-chloro-6-(3-phenylpyrrolidin-1-yl)-2-pyridinyl]methanamine?
[3-chloro-6-(3-phenylpyrrolidin-1-yl)-2-pyridinyl]methanamine has a molecular weight of 287.79 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-6-(3-phenylpyrrolidin-1-yl)-2-pyridinyl]methanamine is sourced from PubChem (CID 62298745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).