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

C18H24ClN3O — CID 52945177

IUPACN-ethyl-N-phenyl-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridin-3-amine;hydrochloride
SMILESCCN(c1ccccc1)c1cncc(OC[C@@H]2CCCN2)c1.Cl
InChIInChI=1S/C18H23N3O.ClH/c1-2-21(16-8-4-3-5-9-16)17-11-18(13-19-12-17)22-14-15-7-6-10-20-15;/h3-5,8-9,11-13,15,20H,2,6-7,10,14H2,1H3;1H/t15-;/m0./s1
InChIKeyAAHSNVCFNUBEDA-RSAXXLAASA-N
MW333.86 g/mol
LogP3.79
Rot. Bonds6

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

N-ethyl-N-phenyl-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridin-3-amine;hydrochloride (PubChem CID 52945177) has the molecular formula C18H24ClN3O and a molecular weight of 333.86 g/mol. Its IUPAC name is N-ethyl-N-phenyl-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridin-3-amine;hydrochloride.

Molecular Properties

Compound NameN-ethyl-N-phenyl-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridin-3-amine;hydrochloride
PubChem CID52945177
Molecular FormulaC18H24ClN3O
Molecular Weight333.86 g/mol
Exact Mass333.16
IUPAC NameN-ethyl-N-phenyl-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridin-3-amine;hydrochloride
SMILESCCN(c1ccccc1)c1cncc(OC[C@@H]2CCCN2)c1.Cl
InChIInChI=1S/C18H23N3O.ClH/c1-2-21(16-8-4-3-5-9-16)17-11-18(13-19-12-17)22-14-15-7-6-10-20-15;/h3-5,8-9,11-13,15,20H,2,6-7,10,14H2,1H3;1H/t15-;/m0./s1
InChIKeyAAHSNVCFNUBEDA-RSAXXLAASA-N
XLogP3.79
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 ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Pozanicline
CID 178052
Pyridine, 5-amino-2,3'-oxydi-
CID 2800156
Isamoltan
CID 127404
A-84543
CID 9794141
1-(6-Bromo-5-Ethoxypyridin-3-Yl)-1,4-Diazepane
CID 10402507
1-(5-Ethoxypyridin-3-yl)-1,4-diazepane
CID 22053540
3-Amino-2-(4-fluorophenoxy)pyridine
CID 2735921
6-Phenoxy-3-pyridinamine
CID 212856
N-methyl-2-(pyridin-3-yloxy)ethanamine
CID 9793858
(1R,5S)-6-(5-nethoxypyridin-3-yl)-3,6-diazabicyclo[3.2.0]-heptane
CID 9877707
(1R,4R)-2-(5-methoxy-3-pyridinyl)-2,5-diazabicyclo[2.2.1]-heptane
CID 10219900
2-Chloro-5-((R)-1-pyrrolidin-2-ylmethoxy)-pyridine
CID 10512747

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-phenyl-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridin-3-amine;hydrochloride?
The IUPAC name of N-ethyl-N-phenyl-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridin-3-amine;hydrochloride (CID 52945177) is N-ethyl-N-phenyl-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridin-3-amine;hydrochloride.
What is the SMILES notation for N-ethyl-N-phenyl-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridin-3-amine;hydrochloride?
The canonical SMILES for N-ethyl-N-phenyl-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridin-3-amine;hydrochloride is CCN(c1ccccc1)c1cncc(OC[C@@H]2CCCN2)c1.Cl.
What is the InChIKey of N-ethyl-N-phenyl-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridin-3-amine;hydrochloride?
The InChIKey is AAHSNVCFNUBEDA-RSAXXLAASA-N. The full InChI is InChI=1S/C18H23N3O.ClH/c1-2-21(16-8-4-3-5-9-16)17-11-18(13-19-12-17)22-14-15-7-6-10-20-15;/h3-5,8-9,11-13,15,20H,2,6-7,10,14H2,1H3;1H/t15-;/m0./s1.
What are the key properties of N-ethyl-N-phenyl-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridin-3-amine;hydrochloride?
N-ethyl-N-phenyl-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridin-3-amine;hydrochloride has a molecular weight of 333.86 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-phenyl-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridin-3-amine;hydrochloride is sourced from PubChem (CID 52945177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).