2-(1-benzylpyrrolidin-3-yl)oxy-6-chloropyridin-3-amine

C16H18ClN3O — CID 115474532

IUPAC2-(1-benzylpyrrolidin-3-yl)oxy-6-chloropyridin-3-amine
SMILESNc1ccc(Cl)nc1OC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C16H18ClN3O/c17-15-7-6-14(18)16(19-15)21-13-8-9-20(11-13)10-12-4-2-1-3-5-12/h1-7,13H,8-11,18H2
InChIKeyIQNVZZQNYNMZQJ-UHFFFAOYSA-N
MW303.79 g/mol
LogP2.97
Rot. Bonds4

About 2-(1-benzylpyrrolidin-3-yl)oxy-6-chloropyridin-3-amine

2-(1-benzylpyrrolidin-3-yl)oxy-6-chloropyridin-3-amine (PubChem CID 115474532) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is 2-(1-benzylpyrrolidin-3-yl)oxy-6-chloropyridin-3-amine.

Molecular Properties

Compound Name2-(1-benzylpyrrolidin-3-yl)oxy-6-chloropyridin-3-amine
PubChem CID115474532
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name2-(1-benzylpyrrolidin-3-yl)oxy-6-chloropyridin-3-amine
SMILESNc1ccc(Cl)nc1OC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C16H18ClN3O/c17-15-7-6-14(18)16(19-15)21-13-8-9-20(11-13)10-12-4-2-1-3-5-12/h1-7,13H,8-11,18H2
InChIKeyIQNVZZQNYNMZQJ-UHFFFAOYSA-N
XLogP2.97
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 52.97
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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Related Compounds

2-(1-benzylpyrrolidin-3-yl)oxypyridin-3-amine
CID 62911300
4-(1-benzylpyrrolidin-3-yl)oxy-5-bromopyrimidin-2-amine
CID 80879763
2-(1-benzylpyrrolidin-3-yl)oxy-5-methylpyridin-3-amine
CID 66281326
[3-(1-benzylpyrrolidin-3-yl)oxypyrazin-2-yl]methanamine
CID 62911298
8-(1-benzylpyrrolidin-3-yl)oxyquinolin-2-amine
CID 22254574
O-(1-benzylpyrrolidin-3-yl)hydroxylamine;hydrochloride
CID 142714057
2-[(3S)-1-benzylpyrrolidin-3-yl]oxyethanamine
CID 94894903
4-(1-benzylpyrrolidin-3-yl)oxy-3-fluoroaniline
CID 62916163
2-(1-benzylpyrrolidin-3-yl)oxy-6-fluoropyridine
CID 62916852
(3R)-1-benzyl-3-methoxypyrrolidine
CID 157327886
6-chloro-2-(oxan-4-yloxy)pyridin-3-amine
CID 115474519
4-(1-benzylpyrrolidin-3-yl)oxy-3-bromoaniline
CID 62916334

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylpyrrolidin-3-yl)oxy-6-chloropyridin-3-amine?
The IUPAC name of 2-(1-benzylpyrrolidin-3-yl)oxy-6-chloropyridin-3-amine (CID 115474532) is 2-(1-benzylpyrrolidin-3-yl)oxy-6-chloropyridin-3-amine.
What is the SMILES notation for 2-(1-benzylpyrrolidin-3-yl)oxy-6-chloropyridin-3-amine?
The canonical SMILES for 2-(1-benzylpyrrolidin-3-yl)oxy-6-chloropyridin-3-amine is Nc1ccc(Cl)nc1OC1CCN(Cc2ccccc2)C1.
What is the InChIKey of 2-(1-benzylpyrrolidin-3-yl)oxy-6-chloropyridin-3-amine?
The InChIKey is IQNVZZQNYNMZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c17-15-7-6-14(18)16(19-15)21-13-8-9-20(11-13)10-12-4-2-1-3-5-12/h1-7,13H,8-11,18H2.
What are the key properties of 2-(1-benzylpyrrolidin-3-yl)oxy-6-chloropyridin-3-amine?
2-(1-benzylpyrrolidin-3-yl)oxy-6-chloropyridin-3-amine has a molecular weight of 303.79 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylpyrrolidin-3-yl)oxy-6-chloropyridin-3-amine is sourced from PubChem (CID 115474532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).