2-chloro-N-ethyl-5-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]pyridin-3-amine

C13H20ClN3O — CID 54566968

IUPAC2-chloro-N-ethyl-5-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]pyridin-3-amine
SMILESCCNc1cc(OC[C@H]2CCCN2C)cnc1Cl
InChIInChI=1S/C13H20ClN3O/c1-3-15-12-7-11(8-16-13(12)14)18-9-10-5-4-6-17(10)2/h7-8,10,15H,3-6,9H2,1-2H3/t10-/m1/s1
InChIKeyZUNCQLMUNNOHIG-SNVBAGLBSA-N
MW269.78 g/mol
LogP2.64
Rot. Bonds5

About 2-chloro-N-ethyl-5-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]pyridin-3-amine

2-chloro-N-ethyl-5-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]pyridin-3-amine (PubChem CID 54566968) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is 2-chloro-N-ethyl-5-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]pyridin-3-amine.

Molecular Properties

Compound Name2-chloro-N-ethyl-5-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]pyridin-3-amine
PubChem CID54566968
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC Name2-chloro-N-ethyl-5-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]pyridin-3-amine
SMILESCCNc1cc(OC[C@H]2CCCN2C)cnc1Cl
InChIInChI=1S/C13H20ClN3O/c1-3-15-12-7-11(8-16-13(12)14)18-9-10-5-4-6-17(10)2/h7-8,10,15H,3-6,9H2,1-2H3/t10-/m1/s1
InChIKeyZUNCQLMUNNOHIG-SNVBAGLBSA-N
XLogP2.64
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-ethyl-5-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]pyridin-3-amine?
The IUPAC name of 2-chloro-N-ethyl-5-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]pyridin-3-amine (CID 54566968) is 2-chloro-N-ethyl-5-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]pyridin-3-amine.
What is the SMILES notation for 2-chloro-N-ethyl-5-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]pyridin-3-amine?
The canonical SMILES for 2-chloro-N-ethyl-5-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]pyridin-3-amine is CCNc1cc(OC[C@H]2CCCN2C)cnc1Cl.
What is the InChIKey of 2-chloro-N-ethyl-5-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]pyridin-3-amine?
The InChIKey is ZUNCQLMUNNOHIG-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H20ClN3O/c1-3-15-12-7-11(8-16-13(12)14)18-9-10-5-4-6-17(10)2/h7-8,10,15H,3-6,9H2,1-2H3/t10-/m1/s1.
What are the key properties of 2-chloro-N-ethyl-5-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]pyridin-3-amine?
2-chloro-N-ethyl-5-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]pyridin-3-amine has a molecular weight of 269.78 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethyl-5-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]pyridin-3-amine is sourced from PubChem (CID 54566968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).