2,2-dimethyl-3-morpholin-4-yl-3-oxo-N-(pyridin-4-ylmethyl)propanamide

C15H21N3O3 — CID 108959832

IUPAC2,2-dimethyl-3-morpholin-4-yl-3-oxo-N-(pyridin-4-ylmethyl)propanamide
SMILESCC(C)(C(=O)NCc1ccncc1)C(=O)N1CCOCC1
InChIInChI=1S/C15H21N3O3/c1-15(2,14(20)18-7-9-21-10-8-18)13(19)17-11-12-3-5-16-6-4-12/h3-6H,7-11H2,1-2H3,(H,17,19)
InChIKeyIZVYVWHPLMNNOH-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.58
Rot. Bonds4

About 2,2-dimethyl-3-morpholin-4-yl-3-oxo-N-(pyridin-4-ylmethyl)propanamide

2,2-dimethyl-3-morpholin-4-yl-3-oxo-N-(pyridin-4-ylmethyl)propanamide (PubChem CID 108959832) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2,2-dimethyl-3-morpholin-4-yl-3-oxo-N-(pyridin-4-ylmethyl)propanamide.

Molecular Properties

Compound Name2,2-dimethyl-3-morpholin-4-yl-3-oxo-N-(pyridin-4-ylmethyl)propanamide
PubChem CID108959832
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name2,2-dimethyl-3-morpholin-4-yl-3-oxo-N-(pyridin-4-ylmethyl)propanamide
SMILESCC(C)(C(=O)NCc1ccncc1)C(=O)N1CCOCC1
InChIInChI=1S/C15H21N3O3/c1-15(2,14(20)18-7-9-21-10-8-18)13(19)17-11-12-3-5-16-6-4-12/h3-6H,7-11H2,1-2H3,(H,17,19)
InChIKeyIZVYVWHPLMNNOH-UHFFFAOYSA-N
XLogP0.58
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 ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-[(4-chlorophenyl)methyl]-2,2-dimethyl-3-morpholin-4-yl-3-oxopropanamide
CID 108959825
N-[(4-fluorophenyl)methyl]-2,2-dimethyl-3-morpholin-4-yl-3-oxopropanamide
CID 108959823
2,2-dimethyl-3-oxo-3-(4-phenylpiperazin-1-yl)-N-(pyridin-4-ylmethyl)propanamide
CID 108963654
2,2-dimethyl-3-morpholin-4-yl-3-oxo-N-(pyridin-2-ylmethyl)propanamide
CID 108959830
3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2,2-dimethyl-3-oxo-N-(pyridin-4-ylmethyl)propanamide
CID 108963666
3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2,2-dimethyl-3-oxo-N-(pyridin-4-ylmethyl)propanamide
CID 108963674
2,2-dimethyl-N-[(4-methylphenyl)methyl]-N'-(pyridin-4-ylmethyl)propanediamide
CID 108961964
3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2,2-dimethyl-3-oxo-N-(pyridin-3-ylmethyl)propanamide
CID 108963508
N-[(4-chlorophenyl)methyl]-2,2-dimethyl-3-oxo-3-pyrrolidin-1-ylpropanamide
CID 108958370
2,2-dimethyl-N-(4-piperidin-1-ylphenyl)-N'-(pyridin-4-ylmethyl)propanediamide
CID 108963754
1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-3-(pyridin-4-ylmethyl)urea
CID 86916245
2,2-dimethyl-N-phenyl-N'-(pyridin-4-ylmethyl)propanediamide
CID 108963689

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-morpholin-4-yl-3-oxo-N-(pyridin-4-ylmethyl)propanamide?
The IUPAC name of 2,2-dimethyl-3-morpholin-4-yl-3-oxo-N-(pyridin-4-ylmethyl)propanamide (CID 108959832) is 2,2-dimethyl-3-morpholin-4-yl-3-oxo-N-(pyridin-4-ylmethyl)propanamide.
What is the SMILES notation for 2,2-dimethyl-3-morpholin-4-yl-3-oxo-N-(pyridin-4-ylmethyl)propanamide?
The canonical SMILES for 2,2-dimethyl-3-morpholin-4-yl-3-oxo-N-(pyridin-4-ylmethyl)propanamide is CC(C)(C(=O)NCc1ccncc1)C(=O)N1CCOCC1.
What is the InChIKey of 2,2-dimethyl-3-morpholin-4-yl-3-oxo-N-(pyridin-4-ylmethyl)propanamide?
The InChIKey is IZVYVWHPLMNNOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-15(2,14(20)18-7-9-21-10-8-18)13(19)17-11-12-3-5-16-6-4-12/h3-6H,7-11H2,1-2H3,(H,17,19).
What are the key properties of 2,2-dimethyl-3-morpholin-4-yl-3-oxo-N-(pyridin-4-ylmethyl)propanamide?
2,2-dimethyl-3-morpholin-4-yl-3-oxo-N-(pyridin-4-ylmethyl)propanamide has a molecular weight of 291.35 g/mol, XLogP of 0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-morpholin-4-yl-3-oxo-N-(pyridin-4-ylmethyl)propanamide is sourced from PubChem (CID 108959832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).