2-chloro-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-5-methylpyridin-3-amine

C14H20ClN3 — CID 114050843

IUPAC2-chloro-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-5-methylpyridin-3-amine
SMILESCc1cnc(Cl)c(NC2CC(C)N(C3CC3)C2)c1
InChIInChI=1S/C14H20ClN3/c1-9-5-13(14(15)16-7-9)17-11-6-10(2)18(8-11)12-3-4-12/h5,7,10-12,17H,3-4,6,8H2,1-2H3
InChIKeyXGYJPYKOJAHYDW-UHFFFAOYSA-N
MW265.79 g/mol
LogP3.08
Rot. Bonds3

About 2-chloro-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-5-methylpyridin-3-amine

2-chloro-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-5-methylpyridin-3-amine (PubChem CID 114050843) has the molecular formula C14H20ClN3 and a molecular weight of 265.79 g/mol. Its IUPAC name is 2-chloro-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-5-methylpyridin-3-amine.

Molecular Properties

Compound Name2-chloro-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-5-methylpyridin-3-amine
PubChem CID114050843
Molecular FormulaC14H20ClN3
Molecular Weight265.79 g/mol
Exact Mass265.13
IUPAC Name2-chloro-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-5-methylpyridin-3-amine
SMILESCc1cnc(Cl)c(NC2CC(C)N(C3CC3)C2)c1
InChIInChI=1S/C14H20ClN3/c1-9-5-13(14(15)16-7-9)17-11-6-10(2)18(8-11)12-3-4-12/h5,7,10-12,17H,3-4,6,8H2,1-2H3
InChIKeyXGYJPYKOJAHYDW-UHFFFAOYSA-N
XLogP3.08
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.79
LogP ≤ 53.08
H-Bond Donors ≤ 51
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 2-chloro-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-5-methylpyridin-3-amine?
The IUPAC name of 2-chloro-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-5-methylpyridin-3-amine (CID 114050843) is 2-chloro-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-5-methylpyridin-3-amine.
What is the SMILES notation for 2-chloro-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-5-methylpyridin-3-amine?
The canonical SMILES for 2-chloro-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-5-methylpyridin-3-amine is Cc1cnc(Cl)c(NC2CC(C)N(C3CC3)C2)c1.
What is the InChIKey of 2-chloro-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-5-methylpyridin-3-amine?
The InChIKey is XGYJPYKOJAHYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3/c1-9-5-13(14(15)16-7-9)17-11-6-10(2)18(8-11)12-3-4-12/h5,7,10-12,17H,3-4,6,8H2,1-2H3.
What are the key properties of 2-chloro-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-5-methylpyridin-3-amine?
2-chloro-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-5-methylpyridin-3-amine has a molecular weight of 265.79 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-5-methylpyridin-3-amine is sourced from PubChem (CID 114050843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).