N-(6-chloro-3-pyridinyl)-4-[(2S,6R)-6-methylmorpholin-2-yl]benzamide

C17H18ClN3O2 — CID 145006175

IUPACN-(6-chloro-3-pyridinyl)-4-[(2S,6R)-6-methylmorpholin-2-yl]benzamide
SMILESC[C@@H]1CNC[C@H](c2ccc(C(=O)Nc3ccc(Cl)nc3)cc2)O1
InChIInChI=1S/C17H18ClN3O2/c1-11-8-19-10-15(23-11)12-2-4-13(5-3-12)17(22)21-14-6-7-16(18)20-9-14/h2-7,9,11,15,19H,8,10H2,1H3,(H,21,22)/t11-,15-/m1/s1
InChIKeyBOSIEESHVHKENN-IAQYHMDHSA-N
MW331.80 g/mol
LogP3.04
Rot. Bonds3

About N-(6-chloro-3-pyridinyl)-4-[(2S,6R)-6-methylmorpholin-2-yl]benzamide

N-(6-chloro-3-pyridinyl)-4-[(2S,6R)-6-methylmorpholin-2-yl]benzamide (PubChem CID 145006175) has the molecular formula C17H18ClN3O2 and a molecular weight of 331.80 g/mol. Its IUPAC name is N-(6-chloro-3-pyridinyl)-4-[(2S,6R)-6-methylmorpholin-2-yl]benzamide.

Molecular Properties

Compound NameN-(6-chloro-3-pyridinyl)-4-[(2S,6R)-6-methylmorpholin-2-yl]benzamide
PubChem CID145006175
Molecular FormulaC17H18ClN3O2
Molecular Weight331.80 g/mol
Exact Mass331.11
IUPAC NameN-(6-chloro-3-pyridinyl)-4-[(2S,6R)-6-methylmorpholin-2-yl]benzamide
SMILESC[C@@H]1CNC[C@H](c2ccc(C(=O)Nc3ccc(Cl)nc3)cc2)O1
InChIInChI=1S/C17H18ClN3O2/c1-11-8-19-10-15(23-11)12-2-4-13(5-3-12)17(22)21-14-6-7-16(18)20-9-14/h2-7,9,11,15,19H,8,10H2,1H3,(H,21,22)/t11-,15-/m1/s1
InChIKeyBOSIEESHVHKENN-IAQYHMDHSA-N
XLogP3.04
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-(6-chloro-3-pyridinyl)-4-[(2S,6R)-6-methylmorpholin-2-yl]benzamide 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 N-(6-chloro-3-pyridinyl)-4-[(2S,6R)-6-methylmorpholin-2-yl]benzamide?
The IUPAC name of N-(6-chloro-3-pyridinyl)-4-[(2S,6R)-6-methylmorpholin-2-yl]benzamide (CID 145006175) is N-(6-chloro-3-pyridinyl)-4-[(2S,6R)-6-methylmorpholin-2-yl]benzamide.
What is the SMILES notation for N-(6-chloro-3-pyridinyl)-4-[(2S,6R)-6-methylmorpholin-2-yl]benzamide?
The canonical SMILES for N-(6-chloro-3-pyridinyl)-4-[(2S,6R)-6-methylmorpholin-2-yl]benzamide is C[C@@H]1CNC[C@H](c2ccc(C(=O)Nc3ccc(Cl)nc3)cc2)O1.
What is the InChIKey of N-(6-chloro-3-pyridinyl)-4-[(2S,6R)-6-methylmorpholin-2-yl]benzamide?
The InChIKey is BOSIEESHVHKENN-IAQYHMDHSA-N. The full InChI is InChI=1S/C17H18ClN3O2/c1-11-8-19-10-15(23-11)12-2-4-13(5-3-12)17(22)21-14-6-7-16(18)20-9-14/h2-7,9,11,15,19H,8,10H2,1H3,(H,21,22)/t11-,15-/m1/s1.
What are the key properties of N-(6-chloro-3-pyridinyl)-4-[(2S,6R)-6-methylmorpholin-2-yl]benzamide?
N-(6-chloro-3-pyridinyl)-4-[(2S,6R)-6-methylmorpholin-2-yl]benzamide has a molecular weight of 331.80 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-3-pyridinyl)-4-[(2S,6R)-6-methylmorpholin-2-yl]benzamide is sourced from PubChem (CID 145006175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).