N-benzyl-N-methyl-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridin-3-amine;hydrochloride

C18H24ClN3O — CID 52943982

IUPACN-benzyl-N-methyl-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridin-3-amine;hydrochloride
SMILESCN(Cc1ccccc1)c1cncc(OC[C@@H]2CCCN2)c1.Cl
InChIInChI=1S/C18H23N3O.ClH/c1-21(13-15-6-3-2-4-7-15)17-10-18(12-19-11-17)22-14-16-8-5-9-20-16;/h2-4,6-7,10-12,16,20H,5,8-9,13-14H2,1H3;1H/t16-;/m0./s1
InChIKeyKVSBKADBGNYQLF-NTISSMGPSA-N
MW333.86 g/mol
LogP3.27
Rot. Bonds6

About N-benzyl-N-methyl-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridin-3-amine;hydrochloride

N-benzyl-N-methyl-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridin-3-amine;hydrochloride (PubChem CID 52943982) has the molecular formula C18H24ClN3O and a molecular weight of 333.86 g/mol. Its IUPAC name is N-benzyl-N-methyl-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridin-3-amine;hydrochloride.

Molecular Properties

Compound NameN-benzyl-N-methyl-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridin-3-amine;hydrochloride
PubChem CID52943982
Molecular FormulaC18H24ClN3O
Molecular Weight333.86 g/mol
Exact Mass333.16
IUPAC NameN-benzyl-N-methyl-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridin-3-amine;hydrochloride
SMILESCN(Cc1ccccc1)c1cncc(OC[C@@H]2CCCN2)c1.Cl
InChIInChI=1S/C18H23N3O.ClH/c1-21(13-15-6-3-2-4-7-15)17-10-18(12-19-11-17)22-14-16-8-5-9-20-16;/h2-4,6-7,10-12,16,20H,5,8-9,13-14H2,1H3;1H/t16-;/m0./s1
InChIKeyKVSBKADBGNYQLF-NTISSMGPSA-N
XLogP3.27
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.86
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridin-3-amine;hydrochloride?
The IUPAC name of N-benzyl-N-methyl-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridin-3-amine;hydrochloride (CID 52943982) is N-benzyl-N-methyl-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridin-3-amine;hydrochloride.
What is the SMILES notation for N-benzyl-N-methyl-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridin-3-amine;hydrochloride?
The canonical SMILES for N-benzyl-N-methyl-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridin-3-amine;hydrochloride is CN(Cc1ccccc1)c1cncc(OC[C@@H]2CCCN2)c1.Cl.
What is the InChIKey of N-benzyl-N-methyl-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridin-3-amine;hydrochloride?
The InChIKey is KVSBKADBGNYQLF-NTISSMGPSA-N. The full InChI is InChI=1S/C18H23N3O.ClH/c1-21(13-15-6-3-2-4-7-15)17-10-18(12-19-11-17)22-14-16-8-5-9-20-16;/h2-4,6-7,10-12,16,20H,5,8-9,13-14H2,1H3;1H/t16-;/m0./s1.
What are the key properties of N-benzyl-N-methyl-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridin-3-amine;hydrochloride?
N-benzyl-N-methyl-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridin-3-amine;hydrochloride has a molecular weight of 333.86 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridin-3-amine;hydrochloride is sourced from PubChem (CID 52943982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).