(5S)-5-(aminomethyl)-3-(5-pyridin-3-yl-2-pyridinyl)-1,3-oxazolidin-2-one;trihydrochloride

C14H17Cl3N4O2 — CID 70195308

IUPAC(5S)-5-(aminomethyl)-3-(5-pyridin-3-yl-2-pyridinyl)-1,3-oxazolidin-2-one;trihydrochloride
SMILESCl.Cl.Cl.NC[C@H]1CN(c2ccc(-c3cccnc3)cn2)C(=O)O1
InChIInChI=1S/C14H14N4O2.3ClH/c15-6-12-9-18(14(19)20-12)13-4-3-11(8-17-13)10-2-1-5-16-7-10;;;/h1-5,7-8,12H,6,9,15H2;3*1H/t12-;;;/m0.../s1
InChIKeyGBPLZFKFFNKMLE-JNQXMBDASA-N
MW379.68 g/mol
LogP2.69
Rot. Bonds3

About (5S)-5-(aminomethyl)-3-(5-pyridin-3-yl-2-pyridinyl)-1,3-oxazolidin-2-one;trihydrochloride

(5S)-5-(aminomethyl)-3-(5-pyridin-3-yl-2-pyridinyl)-1,3-oxazolidin-2-one;trihydrochloride (PubChem CID 70195308) has the molecular formula C14H17Cl3N4O2 and a molecular weight of 379.68 g/mol. Its IUPAC name is (5S)-5-(aminomethyl)-3-(5-pyridin-3-yl-2-pyridinyl)-1,3-oxazolidin-2-one;trihydrochloride.

Molecular Properties

Compound Name(5S)-5-(aminomethyl)-3-(5-pyridin-3-yl-2-pyridinyl)-1,3-oxazolidin-2-one;trihydrochloride
PubChem CID70195308
Molecular FormulaC14H17Cl3N4O2
Molecular Weight379.68 g/mol
Exact Mass378.04
IUPAC Name(5S)-5-(aminomethyl)-3-(5-pyridin-3-yl-2-pyridinyl)-1,3-oxazolidin-2-one;trihydrochloride
SMILESCl.Cl.Cl.NC[C@H]1CN(c2ccc(-c3cccnc3)cn2)C(=O)O1
InChIInChI=1S/C14H14N4O2.3ClH/c15-6-12-9-18(14(19)20-12)13-4-3-11(8-17-13)10-2-1-5-16-7-10;;;/h1-5,7-8,12H,6,9,15H2;3*1H/t12-;;;/m0.../s1
InChIKeyGBPLZFKFFNKMLE-JNQXMBDASA-N
XLogP2.69
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.68
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (5S)-5-(aminomethyl)-3-(5-pyridin-3-yl-2-pyridinyl)-1,3-oxazolidin-2-one;trihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(aminomethyl)-3-(5-pyridin-3-yl-2-pyridinyl)-1,3-oxazolidin-2-one;trihydrochloride?
The IUPAC name of (5S)-5-(aminomethyl)-3-(5-pyridin-3-yl-2-pyridinyl)-1,3-oxazolidin-2-one;trihydrochloride (CID 70195308) is (5S)-5-(aminomethyl)-3-(5-pyridin-3-yl-2-pyridinyl)-1,3-oxazolidin-2-one;trihydrochloride.
What is the SMILES notation for (5S)-5-(aminomethyl)-3-(5-pyridin-3-yl-2-pyridinyl)-1,3-oxazolidin-2-one;trihydrochloride?
The canonical SMILES for (5S)-5-(aminomethyl)-3-(5-pyridin-3-yl-2-pyridinyl)-1,3-oxazolidin-2-one;trihydrochloride is Cl.Cl.Cl.NC[C@H]1CN(c2ccc(-c3cccnc3)cn2)C(=O)O1.
What is the InChIKey of (5S)-5-(aminomethyl)-3-(5-pyridin-3-yl-2-pyridinyl)-1,3-oxazolidin-2-one;trihydrochloride?
The InChIKey is GBPLZFKFFNKMLE-JNQXMBDASA-N. The full InChI is InChI=1S/C14H14N4O2.3ClH/c15-6-12-9-18(14(19)20-12)13-4-3-11(8-17-13)10-2-1-5-16-7-10;;;/h1-5,7-8,12H,6,9,15H2;3*1H/t12-;;;/m0.../s1.
What are the key properties of (5S)-5-(aminomethyl)-3-(5-pyridin-3-yl-2-pyridinyl)-1,3-oxazolidin-2-one;trihydrochloride?
(5S)-5-(aminomethyl)-3-(5-pyridin-3-yl-2-pyridinyl)-1,3-oxazolidin-2-one;trihydrochloride has a molecular weight of 379.68 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(aminomethyl)-3-(5-pyridin-3-yl-2-pyridinyl)-1,3-oxazolidin-2-one;trihydrochloride is sourced from PubChem (CID 70195308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).