N-[4-[(R)-[(3R)-4-benzyl-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]pyridine-3-carboxamide

C24H23N3O4 — CID 56774612

IUPACN-[4-[(R)-[(3R)-4-benzyl-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2Cc2ccccc2)cc1)c1cccnc1
InChIInChI=1S/C24H23N3O4/c28-22-16-31-15-21(27(22)14-17-5-2-1-3-6-17)23(29)18-8-10-20(11-9-18)26-24(30)19-7-4-12-25-13-19/h1-13,21,23,29H,14-16H2,(H,26,30)/t21-,23-/m1/s1
InChIKeyXKJHFIQYLAENPG-FYYLOGMGSA-N
MW417.47 g/mol
LogP2.79
Rot. Bonds6

About N-[4-[(R)-[(3R)-4-benzyl-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]pyridine-3-carboxamide

N-[4-[(R)-[(3R)-4-benzyl-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]pyridine-3-carboxamide (PubChem CID 56774612) has the molecular formula C24H23N3O4 and a molecular weight of 417.47 g/mol. Its IUPAC name is N-[4-[(R)-[(3R)-4-benzyl-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(R)-[(3R)-4-benzyl-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]pyridine-3-carboxamide
PubChem CID56774612
Molecular FormulaC24H23N3O4
Molecular Weight417.47 g/mol
Exact Mass417.17
IUPAC NameN-[4-[(R)-[(3R)-4-benzyl-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2Cc2ccccc2)cc1)c1cccnc1
InChIInChI=1S/C24H23N3O4/c28-22-16-31-15-21(27(22)14-17-5-2-1-3-6-17)23(29)18-8-10-20(11-9-18)26-24(30)19-7-4-12-25-13-19/h1-13,21,23,29H,14-16H2,(H,26,30)/t21-,23-/m1/s1
InChIKeyXKJHFIQYLAENPG-FYYLOGMGSA-N
XLogP2.79
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(R)-[(3R)-4-benzyl-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[4-[(R)-[(3R)-4-benzyl-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]pyridine-3-carboxamide (CID 56774612) is N-[4-[(R)-[(3R)-4-benzyl-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[(R)-[(3R)-4-benzyl-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[4-[(R)-[(3R)-4-benzyl-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]pyridine-3-carboxamide is O=C(Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2Cc2ccccc2)cc1)c1cccnc1.
What is the InChIKey of N-[4-[(R)-[(3R)-4-benzyl-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]pyridine-3-carboxamide?
The InChIKey is XKJHFIQYLAENPG-FYYLOGMGSA-N. The full InChI is InChI=1S/C24H23N3O4/c28-22-16-31-15-21(27(22)14-17-5-2-1-3-6-17)23(29)18-8-10-20(11-9-18)26-24(30)19-7-4-12-25-13-19/h1-13,21,23,29H,14-16H2,(H,26,30)/t21-,23-/m1/s1.
What are the key properties of N-[4-[(R)-[(3R)-4-benzyl-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]pyridine-3-carboxamide?
N-[4-[(R)-[(3R)-4-benzyl-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]pyridine-3-carboxamide has a molecular weight of 417.47 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(R)-[(3R)-4-benzyl-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 56774612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).