4-benzyl-5-oxo-N-(pyridin-2-ylmethyl)morpholine-3-carboxamide

C18H19N3O3 — CID 56765968

IUPAC4-benzyl-5-oxo-N-(pyridin-2-ylmethyl)morpholine-3-carboxamide
SMILESO=C(NCc1ccccn1)C1COCC(=O)N1Cc1ccccc1
InChIInChI=1S/C18H19N3O3/c22-17-13-24-12-16(21(17)11-14-6-2-1-3-7-14)18(23)20-10-15-8-4-5-9-19-15/h1-9,16H,10-13H2,(H,20,23)
InChIKeyRKILKCGIQBFOFY-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.13
Rot. Bonds5

About 4-benzyl-5-oxo-N-(pyridin-2-ylmethyl)morpholine-3-carboxamide

4-benzyl-5-oxo-N-(pyridin-2-ylmethyl)morpholine-3-carboxamide (PubChem CID 56765968) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 4-benzyl-5-oxo-N-(pyridin-2-ylmethyl)morpholine-3-carboxamide.

Molecular Properties

Compound Name4-benzyl-5-oxo-N-(pyridin-2-ylmethyl)morpholine-3-carboxamide
PubChem CID56765968
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name4-benzyl-5-oxo-N-(pyridin-2-ylmethyl)morpholine-3-carboxamide
SMILESO=C(NCc1ccccn1)C1COCC(=O)N1Cc1ccccc1
InChIInChI=1S/C18H19N3O3/c22-17-13-24-12-16(21(17)11-14-6-2-1-3-7-14)18(23)20-10-15-8-4-5-9-19-15/h1-9,16H,10-13H2,(H,20,23)
InChIKeyRKILKCGIQBFOFY-UHFFFAOYSA-N
XLogP1.13
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-(2-Phenylethyl)-N-[2-(4-phenylpiperazin-1-YL)-2-(pyridin-3-YL)ethyl]ethanediamide
CID 16017378
2-Fluoro-N-[(E)-1-(morpholine-4-carbonyl)-2-pyridin-3-yl-vinyl]-benzamide
CID 1835917
1-(2-methoxyethyl)-N-[(3-methyl-2-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide
CID 24819416
{4-[2-(Benzhydryl-amino)-3-hydroxy-propionyl]-piperazin-1-yl}-(2-methyl-pyridin-3-yl)-acetonitrile
CID 10389948
Way-317538
CID 45484303
N-(2-morpholin-4-ylethyl)-4-pyridin-2-ylbenzamide
CID 59673077
3-[2-[4-(2-phenylphenyl)piperazin-1-yl]ethoxy]-N-(pyridin-4-ylmethyl)propanamide
CID 76284193
3-[2-[4-[2-(4-fluorophenyl)phenyl]piperazin-1-yl]ethoxy]-N-[(6-fluoro-3-pyridinyl)methyl]propanamide
CID 76284721
1-(6-benzyl-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl)-2-[(2R,5R)-2-(methoxymethyl)-5-methylpiperazin-1-yl]ethanone
CID 90231909
(2R)-2-amino-N-[(2R)-1-[2-[4-[[2-[bis(pyridin-2-ylmethyl)amino]acetyl]amino]phenyl]ethylamino]-1-oxopropan-2-yl]propanamide;hydrochloride
CID 91668304
methyl (2R)-2-[[(2R)-2-[[4-[2-[4-[[2-[bis(pyridin-2-ylmethyl)amino]acetyl]amino]phenyl]ethylamino]-4-oxobutanoyl]amino]propanoyl]amino]propanoate
CID 118001061
2-Methyl-4-phenyl-9-(2-pyridin-3-ylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118562372

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-5-oxo-N-(pyridin-2-ylmethyl)morpholine-3-carboxamide?
The IUPAC name of 4-benzyl-5-oxo-N-(pyridin-2-ylmethyl)morpholine-3-carboxamide (CID 56765968) is 4-benzyl-5-oxo-N-(pyridin-2-ylmethyl)morpholine-3-carboxamide.
What is the SMILES notation for 4-benzyl-5-oxo-N-(pyridin-2-ylmethyl)morpholine-3-carboxamide?
The canonical SMILES for 4-benzyl-5-oxo-N-(pyridin-2-ylmethyl)morpholine-3-carboxamide is O=C(NCc1ccccn1)C1COCC(=O)N1Cc1ccccc1.
What is the InChIKey of 4-benzyl-5-oxo-N-(pyridin-2-ylmethyl)morpholine-3-carboxamide?
The InChIKey is RKILKCGIQBFOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c22-17-13-24-12-16(21(17)11-14-6-2-1-3-7-14)18(23)20-10-15-8-4-5-9-19-15/h1-9,16H,10-13H2,(H,20,23).
What are the key properties of 4-benzyl-5-oxo-N-(pyridin-2-ylmethyl)morpholine-3-carboxamide?
4-benzyl-5-oxo-N-(pyridin-2-ylmethyl)morpholine-3-carboxamide has a molecular weight of 325.37 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-5-oxo-N-(pyridin-2-ylmethyl)morpholine-3-carboxamide is sourced from PubChem (CID 56765968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).