2-(1-benzylpyrrolidin-3-yl)oxy-5-methylpyridin-3-amine

C17H21N3O — CID 66281326

IUPAC2-(1-benzylpyrrolidin-3-yl)oxy-5-methylpyridin-3-amine
SMILESCc1cnc(OC2CCN(Cc3ccccc3)C2)c(N)c1
InChIInChI=1S/C17H21N3O/c1-13-9-16(18)17(19-10-13)21-15-7-8-20(12-15)11-14-5-3-2-4-6-14/h2-6,9-10,15H,7-8,11-12,18H2,1H3
InChIKeyQPPTVRCLTNISAA-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.63
Rot. Bonds4

About 2-(1-benzylpyrrolidin-3-yl)oxy-5-methylpyridin-3-amine

2-(1-benzylpyrrolidin-3-yl)oxy-5-methylpyridin-3-amine (PubChem CID 66281326) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-(1-benzylpyrrolidin-3-yl)oxy-5-methylpyridin-3-amine.

Molecular Properties

Compound Name2-(1-benzylpyrrolidin-3-yl)oxy-5-methylpyridin-3-amine
PubChem CID66281326
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name2-(1-benzylpyrrolidin-3-yl)oxy-5-methylpyridin-3-amine
SMILESCc1cnc(OC2CCN(Cc3ccccc3)C2)c(N)c1
InChIInChI=1S/C17H21N3O/c1-13-9-16(18)17(19-10-13)21-15-7-8-20(12-15)11-14-5-3-2-4-6-14/h2-6,9-10,15H,7-8,11-12,18H2,1H3
InChIKeyQPPTVRCLTNISAA-UHFFFAOYSA-N
XLogP2.63
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-6-chloropyridin-3-amine
CID 115474532
[3-(1-benzylpyrrolidin-3-yl)oxypyrazin-2-yl]methanamine
CID 62911298
6-(1-benzylpyrrolidin-3-yl)oxy-7-methylisoquinolin-1-amine
CID 68875331
(3R)-1-benzyl-3-methoxypyrrolidine
CID 157327886
2-(1-benzylpyrrolidin-3-yl)oxy-5-bromopyridine
CID 62918212
O-(1-benzylpyrrolidin-3-yl)hydroxylamine;hydrochloride
CID 142714057
4-(1-benzylpyrrolidin-3-yl)oxy-3-fluoroaniline
CID 62916163
4-(1-benzylpyrrolidin-3-yl)oxy-3-bromoaniline
CID 62916334
8-(1-benzylpyrrolidin-3-yl)oxyquinolin-2-amine
CID 22254574
2-[(3S)-1-benzylpyrrolidin-3-yl]oxyethanamine
CID 94894903

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylpyrrolidin-3-yl)oxy-5-methylpyridin-3-amine?
The IUPAC name of 2-(1-benzylpyrrolidin-3-yl)oxy-5-methylpyridin-3-amine (CID 66281326) is 2-(1-benzylpyrrolidin-3-yl)oxy-5-methylpyridin-3-amine.
What is the SMILES notation for 2-(1-benzylpyrrolidin-3-yl)oxy-5-methylpyridin-3-amine?
The canonical SMILES for 2-(1-benzylpyrrolidin-3-yl)oxy-5-methylpyridin-3-amine is Cc1cnc(OC2CCN(Cc3ccccc3)C2)c(N)c1.
What is the InChIKey of 2-(1-benzylpyrrolidin-3-yl)oxy-5-methylpyridin-3-amine?
The InChIKey is QPPTVRCLTNISAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-13-9-16(18)17(19-10-13)21-15-7-8-20(12-15)11-14-5-3-2-4-6-14/h2-6,9-10,15H,7-8,11-12,18H2,1H3.
What are the key properties of 2-(1-benzylpyrrolidin-3-yl)oxy-5-methylpyridin-3-amine?
2-(1-benzylpyrrolidin-3-yl)oxy-5-methylpyridin-3-amine has a molecular weight of 283.38 g/mol, XLogP of 2.63, 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-5-methylpyridin-3-amine is sourced from PubChem (CID 66281326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).