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

C14H24ClN3O — CID 52948851

IUPACN,N-diethyl-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridin-3-amine;hydrochloride
SMILESCCN(CC)c1cncc(OC[C@@H]2CCCN2)c1.Cl
InChIInChI=1S/C14H23N3O.ClH/c1-3-17(4-2)13-8-14(10-15-9-13)18-11-12-6-5-7-16-12;/h8-10,12,16H,3-7,11H2,1-2H3;1H/t12-;/m0./s1
InChIKeyVEWGQBAJSVYKCZ-YDALLXLXSA-N
MW285.82 g/mol
LogP2.48
Rot. Bonds6

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

N,N-diethyl-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridin-3-amine;hydrochloride (PubChem CID 52948851) has the molecular formula C14H24ClN3O and a molecular weight of 285.82 g/mol. Its IUPAC name is N,N-diethyl-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridin-3-amine;hydrochloride.

Molecular Properties

Compound NameN,N-diethyl-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridin-3-amine;hydrochloride
PubChem CID52948851
Molecular FormulaC14H24ClN3O
Molecular Weight285.82 g/mol
Exact Mass285.16
IUPAC NameN,N-diethyl-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridin-3-amine;hydrochloride
SMILESCCN(CC)c1cncc(OC[C@@H]2CCCN2)c1.Cl
InChIInChI=1S/C14H23N3O.ClH/c1-3-17(4-2)13-8-14(10-15-9-13)18-11-12-6-5-7-16-12;/h8-10,12,16H,3-7,11H2,1-2H3;1H/t12-;/m0./s1
InChIKeyVEWGQBAJSVYKCZ-YDALLXLXSA-N
XLogP2.48
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.82
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridin-3-amine;hydrochloride?
The IUPAC name of N,N-diethyl-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridin-3-amine;hydrochloride (CID 52948851) is N,N-diethyl-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridin-3-amine;hydrochloride.
What is the SMILES notation for N,N-diethyl-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridin-3-amine;hydrochloride?
The canonical SMILES for N,N-diethyl-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridin-3-amine;hydrochloride is CCN(CC)c1cncc(OC[C@@H]2CCCN2)c1.Cl.
What is the InChIKey of N,N-diethyl-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridin-3-amine;hydrochloride?
The InChIKey is VEWGQBAJSVYKCZ-YDALLXLXSA-N. The full InChI is InChI=1S/C14H23N3O.ClH/c1-3-17(4-2)13-8-14(10-15-9-13)18-11-12-6-5-7-16-12;/h8-10,12,16H,3-7,11H2,1-2H3;1H/t12-;/m0./s1.
What are the key properties of N,N-diethyl-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridin-3-amine;hydrochloride?
N,N-diethyl-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridin-3-amine;hydrochloride has a molecular weight of 285.82 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridin-3-amine;hydrochloride is sourced from PubChem (CID 52948851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).