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

C18H23N3 — CID 130558893

IUPACN-(1-benzyl-2-methylpyrrolidin-3-yl)-5-methylpyridin-2-amine
SMILESCc1ccc(NC2CCN(Cc3ccccc3)C2C)nc1
InChIInChI=1S/C18H23N3/c1-14-8-9-18(19-12-14)20-17-10-11-21(15(17)2)13-16-6-4-3-5-7-16/h3-9,12,15,17H,10-11,13H2,1-2H3,(H,19,20)
InChIKeyZTXANHJYRVKSNG-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.46
Rot. Bonds4

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

N-(1-benzyl-2-methylpyrrolidin-3-yl)-5-methylpyridin-2-amine (PubChem CID 130558893) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-(1-benzyl-2-methylpyrrolidin-3-yl)-5-methylpyridin-2-amine.

Molecular Properties

Compound NameN-(1-benzyl-2-methylpyrrolidin-3-yl)-5-methylpyridin-2-amine
PubChem CID130558893
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC NameN-(1-benzyl-2-methylpyrrolidin-3-yl)-5-methylpyridin-2-amine
SMILESCc1ccc(NC2CCN(Cc3ccccc3)C2C)nc1
InChIInChI=1S/C18H23N3/c1-14-8-9-18(19-12-14)20-17-10-11-21(15(17)2)13-16-6-4-3-5-7-16/h3-9,12,15,17H,10-11,13H2,1-2H3,(H,19,20)
InChIKeyZTXANHJYRVKSNG-UHFFFAOYSA-N
XLogP3.46
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzyl-2-methylpyrrolidin-3-yl)-6-bromo-2-methylpyrimidin-4-amine
CID 130559000
N-(1-benzyl-2-methylpyrrolidin-3-yl)-2-methylpyridin-3-amine
CID 130546436
N-(1-benzyl-2-methylpyrrolidin-3-yl)-3,6-dichloro-1,2,4-triazin-5-amine
CID 130559015
1-benzyl-3-chloro-2-methylpyrrolidine
CID 67849385
5-methyl-N-(2-methyloxolan-3-yl)pyridin-2-amine
CID 82728713
5-methyl-N-(2-methylcyclopentyl)pyridin-2-amine
CID 63281216
(2R,3R)-1-benzyl-3-fluoro-2-methylpyrrolidine
CID 126557725
(2S,3R)-1-benzyl-3-fluoro-2-methylpyrrolidine
CID 126524305
N-(1-benzyl-3-methylpiperidin-4-yl)pyridin-2-amine
CID 130893109
1-amino-3-(1-benzyl-2-methylpyrrolidin-3-yl)-2-methylguanidine
CID 130559150
N-(2,4-dimethylcyclohexyl)-5-methylpyridin-2-amine
CID 63994524
1-benzyl-2-methyl-3-phenylmethoxypyrrolidine
CID 68728414

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-2-methylpyrrolidin-3-yl)-5-methylpyridin-2-amine?
The IUPAC name of N-(1-benzyl-2-methylpyrrolidin-3-yl)-5-methylpyridin-2-amine (CID 130558893) is N-(1-benzyl-2-methylpyrrolidin-3-yl)-5-methylpyridin-2-amine.
What is the SMILES notation for N-(1-benzyl-2-methylpyrrolidin-3-yl)-5-methylpyridin-2-amine?
The canonical SMILES for N-(1-benzyl-2-methylpyrrolidin-3-yl)-5-methylpyridin-2-amine is Cc1ccc(NC2CCN(Cc3ccccc3)C2C)nc1.
What is the InChIKey of N-(1-benzyl-2-methylpyrrolidin-3-yl)-5-methylpyridin-2-amine?
The InChIKey is ZTXANHJYRVKSNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-14-8-9-18(19-12-14)20-17-10-11-21(15(17)2)13-16-6-4-3-5-7-16/h3-9,12,15,17H,10-11,13H2,1-2H3,(H,19,20).
What are the key properties of N-(1-benzyl-2-methylpyrrolidin-3-yl)-5-methylpyridin-2-amine?
N-(1-benzyl-2-methylpyrrolidin-3-yl)-5-methylpyridin-2-amine has a molecular weight of 281.40 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-2-methylpyrrolidin-3-yl)-5-methylpyridin-2-amine is sourced from PubChem (CID 130558893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).