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

C16H20ClN3O — CID 52950045

IUPACN-phenyl-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridin-3-amine;hydrochloride
SMILESCl.c1ccc(Nc2cncc(OC[C@@H]3CCCN3)c2)cc1
InChIInChI=1S/C16H19N3O.ClH/c1-2-5-13(6-3-1)19-15-9-16(11-17-10-15)20-12-14-7-4-8-18-14;/h1-3,5-6,9-11,14,18-19H,4,7-8,12H2;1H/t14-;/m0./s1
InChIKeyVOWWMNAHQCWRRN-UQKRIMTDSA-N
MW305.81 g/mol
LogP3.38
Rot. Bonds5

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

N-phenyl-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridin-3-amine;hydrochloride (PubChem CID 52950045) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is N-phenyl-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridin-3-amine;hydrochloride.

Molecular Properties

Compound NameN-phenyl-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridin-3-amine;hydrochloride
PubChem CID52950045
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC NameN-phenyl-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridin-3-amine;hydrochloride
SMILESCl.c1ccc(Nc2cncc(OC[C@@H]3CCCN3)c2)cc1
InChIInChI=1S/C16H19N3O.ClH/c1-2-5-13(6-3-1)19-15-9-16(11-17-10-15)20-12-14-7-4-8-18-14;/h1-3,5-6,9-11,14,18-19H,4,7-8,12H2;1H/t14-;/m0./s1
InChIKeyVOWWMNAHQCWRRN-UQKRIMTDSA-N
XLogP3.38
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridin-3-amine;hydrochloride?
The IUPAC name of N-phenyl-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridin-3-amine;hydrochloride (CID 52950045) is N-phenyl-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridin-3-amine;hydrochloride.
What is the SMILES notation for N-phenyl-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridin-3-amine;hydrochloride?
The canonical SMILES for N-phenyl-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridin-3-amine;hydrochloride is Cl.c1ccc(Nc2cncc(OC[C@@H]3CCCN3)c2)cc1.
What is the InChIKey of N-phenyl-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridin-3-amine;hydrochloride?
The InChIKey is VOWWMNAHQCWRRN-UQKRIMTDSA-N. The full InChI is InChI=1S/C16H19N3O.ClH/c1-2-5-13(6-3-1)19-15-9-16(11-17-10-15)20-12-14-7-4-8-18-14;/h1-3,5-6,9-11,14,18-19H,4,7-8,12H2;1H/t14-;/m0./s1.
What are the key properties of N-phenyl-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridin-3-amine;hydrochloride?
N-phenyl-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridin-3-amine;hydrochloride has a molecular weight of 305.81 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridin-3-amine;hydrochloride is sourced from PubChem (CID 52950045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).