N-[4-[4-benzyl-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]pyridine-2-carboxamide

C24H23N3O4 — CID 78150344

IUPACN-[4-[4-benzyl-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(C2OCC(=O)N(Cc3ccccc3)C2CO)cc1)c1ccccn1
InChIInChI=1S/C24H23N3O4/c28-15-21-23(31-16-22(29)27(21)14-17-6-2-1-3-7-17)18-9-11-19(12-10-18)26-24(30)20-8-4-5-13-25-20/h1-13,21,23,28H,14-16H2,(H,26,30)
InChIKeyYARLTCIPILYUSP-UHFFFAOYSA-N
MW417.47 g/mol
LogP2.79
Rot. Bonds6

About N-[4-[4-benzyl-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]pyridine-2-carboxamide

N-[4-[4-benzyl-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]pyridine-2-carboxamide (PubChem CID 78150344) has the molecular formula C24H23N3O4 and a molecular weight of 417.47 g/mol. Its IUPAC name is N-[4-[4-benzyl-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[4-benzyl-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]pyridine-2-carboxamide
PubChem CID78150344
Molecular FormulaC24H23N3O4
Molecular Weight417.47 g/mol
Exact Mass417.17
IUPAC NameN-[4-[4-benzyl-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(C2OCC(=O)N(Cc3ccccc3)C2CO)cc1)c1ccccn1
InChIInChI=1S/C24H23N3O4/c28-15-21-23(31-16-22(29)27(21)14-17-6-2-1-3-7-17)18-9-11-19(12-10-18)26-24(30)20-8-4-5-13-25-20/h1-13,21,23,28H,14-16H2,(H,26,30)
InChIKeyYARLTCIPILYUSP-UHFFFAOYSA-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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Related Compounds

N-[4-[4-benzyl-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-2-methylbenzamide
CID 78150332
N-[4-[4-benzyl-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]cyclopropanecarboxamide
CID 78150317
N-[4-[4-benzyl-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-3,5-difluorobenzamide
CID 78150337
1-[4-[(2R,3R)-4-benzyl-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-3-tert-butylurea
CID 71693270
2-chloro-N-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxo-4-(pyridin-4-ylmethyl)morpholin-2-yl]phenyl]pyridine-4-carboxamide
CID 71693465
3,5-difluoro-N-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxo-4-(pyridin-4-ylmethyl)morpholin-2-yl]phenyl]benzamide
CID 71693463
N-[4-[3-(hydroxymethyl)-4-[(1-methylimidazol-2-yl)methyl]-5-oxomorpholin-2-yl]phenyl]pyrazine-2-carboxamide
CID 78150731
1-benzyl-3-[4-[(2R,3R)-3-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]-5-oxomorpholin-2-yl]phenyl]urea
CID 71693505
N-[4-[3-(hydroxymethyl)-5-oxo-4-(pyridin-4-ylmethyl)morpholin-2-yl]phenyl]cyclohexanecarboxamide
CID 78150496
2-ethyl-N-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxo-4-(pyridin-4-ylmethyl)morpholin-2-yl]phenyl]butanamide
CID 71693450
N-[4-[3-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]-5-oxomorpholin-2-yl]phenyl]-2-phenoxyacetamide
CID 78150565
1-benzyl-3-[4-[3-(hydroxymethyl)-4-[(1-methylimidazol-2-yl)methyl]-5-oxomorpholin-2-yl]phenyl]urea
CID 78150707

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-benzyl-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]pyridine-2-carboxamide?
The IUPAC name of N-[4-[4-benzyl-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]pyridine-2-carboxamide (CID 78150344) is N-[4-[4-benzyl-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-[4-benzyl-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]pyridine-2-carboxamide?
The canonical SMILES for N-[4-[4-benzyl-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]pyridine-2-carboxamide is O=C(Nc1ccc(C2OCC(=O)N(Cc3ccccc3)C2CO)cc1)c1ccccn1.
What is the InChIKey of N-[4-[4-benzyl-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]pyridine-2-carboxamide?
The InChIKey is YARLTCIPILYUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4/c28-15-21-23(31-16-22(29)27(21)14-17-6-2-1-3-7-17)18-9-11-19(12-10-18)26-24(30)20-8-4-5-13-25-20/h1-13,21,23,28H,14-16H2,(H,26,30).
What are the key properties of N-[4-[4-benzyl-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]pyridine-2-carboxamide?
N-[4-[4-benzyl-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]pyridine-2-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-[4-benzyl-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 78150344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).