N-benzyl-4-[(6S)-2,2,6-trimethylmorpholin-4-yl]pyridine-2-carboxamide

C20H25N3O2 — CID 164640873

IUPACN-benzyl-4-[(6S)-2,2,6-trimethylmorpholin-4-yl]pyridine-2-carboxamide
SMILESC[C@H]1CN(c2ccnc(C(=O)NCc3ccccc3)c2)CC(C)(C)O1
InChIInChI=1S/C20H25N3O2/c1-15-13-23(14-20(2,3)25-15)17-9-10-21-18(11-17)19(24)22-12-16-7-5-4-6-8-16/h4-11,15H,12-14H2,1-3H3,(H,22,24)/t15-/m0/s1
InChIKeyNEZNPCNGJIHWME-HNNXBMFYSA-N
MW339.44 g/mol
LogP3.02
Rot. Bonds4

About N-benzyl-4-[(6S)-2,2,6-trimethylmorpholin-4-yl]pyridine-2-carboxamide

N-benzyl-4-[(6S)-2,2,6-trimethylmorpholin-4-yl]pyridine-2-carboxamide (PubChem CID 164640873) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-benzyl-4-[(6S)-2,2,6-trimethylmorpholin-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-[(6S)-2,2,6-trimethylmorpholin-4-yl]pyridine-2-carboxamide
PubChem CID164640873
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-benzyl-4-[(6S)-2,2,6-trimethylmorpholin-4-yl]pyridine-2-carboxamide
SMILESC[C@H]1CN(c2ccnc(C(=O)NCc3ccccc3)c2)CC(C)(C)O1
InChIInChI=1S/C20H25N3O2/c1-15-13-23(14-20(2,3)25-15)17-9-10-21-18(11-17)19(24)22-12-16-7-5-4-6-8-16/h4-11,15H,12-14H2,1-3H3,(H,22,24)/t15-/m0/s1
InChIKeyNEZNPCNGJIHWME-HNNXBMFYSA-N
XLogP3.02
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[(6S)-2,2,6-trimethylmorpholin-4-yl]pyridine-2-carboxamide?
The IUPAC name of N-benzyl-4-[(6S)-2,2,6-trimethylmorpholin-4-yl]pyridine-2-carboxamide (CID 164640873) is N-benzyl-4-[(6S)-2,2,6-trimethylmorpholin-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-benzyl-4-[(6S)-2,2,6-trimethylmorpholin-4-yl]pyridine-2-carboxamide?
The canonical SMILES for N-benzyl-4-[(6S)-2,2,6-trimethylmorpholin-4-yl]pyridine-2-carboxamide is C[C@H]1CN(c2ccnc(C(=O)NCc3ccccc3)c2)CC(C)(C)O1.
What is the InChIKey of N-benzyl-4-[(6S)-2,2,6-trimethylmorpholin-4-yl]pyridine-2-carboxamide?
The InChIKey is NEZNPCNGJIHWME-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-15-13-23(14-20(2,3)25-15)17-9-10-21-18(11-17)19(24)22-12-16-7-5-4-6-8-16/h4-11,15H,12-14H2,1-3H3,(H,22,24)/t15-/m0/s1.
What are the key properties of N-benzyl-4-[(6S)-2,2,6-trimethylmorpholin-4-yl]pyridine-2-carboxamide?
N-benzyl-4-[(6S)-2,2,6-trimethylmorpholin-4-yl]pyridine-2-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[(6S)-2,2,6-trimethylmorpholin-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 164640873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).