4-acetyl-2-methyl-N-(2-pyridin-4-ylethyl)morpholine-2-carboxamide

C15H21N3O3 — CID 110094656

IUPAC4-acetyl-2-methyl-N-(2-pyridin-4-ylethyl)morpholine-2-carboxamide
SMILESCC(=O)N1CCOC(C)(C(=O)NCCc2ccncc2)C1
InChIInChI=1S/C15H21N3O3/c1-12(19)18-9-10-21-15(2,11-18)14(20)17-8-5-13-3-6-16-7-4-13/h3-4,6-7H,5,8-11H2,1-2H3,(H,17,20)
InChIKeyBYKWRSLDIMUZTH-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.38
Rot. Bonds4

About 4-acetyl-2-methyl-N-(2-pyridin-4-ylethyl)morpholine-2-carboxamide

4-acetyl-2-methyl-N-(2-pyridin-4-ylethyl)morpholine-2-carboxamide (PubChem CID 110094656) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 4-acetyl-2-methyl-N-(2-pyridin-4-ylethyl)morpholine-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-2-methyl-N-(2-pyridin-4-ylethyl)morpholine-2-carboxamide
PubChem CID110094656
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name4-acetyl-2-methyl-N-(2-pyridin-4-ylethyl)morpholine-2-carboxamide
SMILESCC(=O)N1CCOC(C)(C(=O)NCCc2ccncc2)C1
InChIInChI=1S/C15H21N3O3/c1-12(19)18-9-10-21-15(2,11-18)14(20)17-8-5-13-3-6-16-7-4-13/h3-4,6-7H,5,8-11H2,1-2H3,(H,17,20)
InChIKeyBYKWRSLDIMUZTH-UHFFFAOYSA-N
XLogP0.38
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-4-acetyl-2-methyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]morpholine-2-carboxamide
CID 125012356
4-acetyl-2-methyl-N-(2-piperidin-1-ylethyl)morpholine-2-carboxamide
CID 110094654
(2S)-4-acetyl-2-methyl-N-(3-pyrrolidin-1-ylpropyl)morpholine-2-carboxamide
CID 124968264
2,4-dimethyl-N-(2-pyrazin-2-ylethyl)morpholine-2-carboxamide
CID 110267606
(2S)-4-acetyl-N-[(2,4-difluorophenyl)methyl]-2-methylmorpholine-2-carboxamide
CID 124958385
(2R)-4-acetyl-N-[(2,4-difluorophenyl)methyl]-2-methylmorpholine-2-carboxamide
CID 124958386
2,4-dimethyl-N-(2-thiophen-2-ylethyl)morpholine-2-carboxamide
CID 73439515
4-methyl-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide
CID 55177553
(2S)-4-acetyl-N-(1-ethyl-5-methylpyrazol-3-yl)-2-methylmorpholine-2-carboxamide
CID 124994949
(2S)-4-acetyl-N-[(4-chlorophenyl)methyl]-N,2-dimethylmorpholine-2-carboxamide
CID 124953808
(2R)-4-acetyl-N-[(4-chlorophenyl)methyl]-N,2-dimethylmorpholine-2-carboxamide
CID 124953809
N,2,4-trimethyl-N-(2-pyridin-4-ylethyl)morpholine-2-carboxamide
CID 110094666

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-2-methyl-N-(2-pyridin-4-ylethyl)morpholine-2-carboxamide?
The IUPAC name of 4-acetyl-2-methyl-N-(2-pyridin-4-ylethyl)morpholine-2-carboxamide (CID 110094656) is 4-acetyl-2-methyl-N-(2-pyridin-4-ylethyl)morpholine-2-carboxamide.
What is the SMILES notation for 4-acetyl-2-methyl-N-(2-pyridin-4-ylethyl)morpholine-2-carboxamide?
The canonical SMILES for 4-acetyl-2-methyl-N-(2-pyridin-4-ylethyl)morpholine-2-carboxamide is CC(=O)N1CCOC(C)(C(=O)NCCc2ccncc2)C1.
What is the InChIKey of 4-acetyl-2-methyl-N-(2-pyridin-4-ylethyl)morpholine-2-carboxamide?
The InChIKey is BYKWRSLDIMUZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-12(19)18-9-10-21-15(2,11-18)14(20)17-8-5-13-3-6-16-7-4-13/h3-4,6-7H,5,8-11H2,1-2H3,(H,17,20).
What are the key properties of 4-acetyl-2-methyl-N-(2-pyridin-4-ylethyl)morpholine-2-carboxamide?
4-acetyl-2-methyl-N-(2-pyridin-4-ylethyl)morpholine-2-carboxamide has a molecular weight of 291.35 g/mol, XLogP of 0.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-2-methyl-N-(2-pyridin-4-ylethyl)morpholine-2-carboxamide is sourced from PubChem (CID 110094656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).