N'-methyl-N-(2-morpholin-4-ylphenyl)-N'-(2-pyridin-4-ylethyl)propanediamide

C21H26N4O3 — CID 108948987

IUPACN'-methyl-N-(2-morpholin-4-ylphenyl)-N'-(2-pyridin-4-ylethyl)propanediamide
SMILESCN(CCc1ccncc1)C(=O)CC(=O)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C21H26N4O3/c1-24(11-8-17-6-9-22-10-7-17)21(27)16-20(26)23-18-4-2-3-5-19(18)25-12-14-28-15-13-25/h2-7,9-10H,8,11-16H2,1H3,(H,23,26)
InChIKeyJECVLIMVTGIFGB-UHFFFAOYSA-N
MW382.46 g/mol
LogP1.95
Rot. Bonds7

About N'-methyl-N-(2-morpholin-4-ylphenyl)-N'-(2-pyridin-4-ylethyl)propanediamide

N'-methyl-N-(2-morpholin-4-ylphenyl)-N'-(2-pyridin-4-ylethyl)propanediamide (PubChem CID 108948987) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is N'-methyl-N-(2-morpholin-4-ylphenyl)-N'-(2-pyridin-4-ylethyl)propanediamide.

Molecular Properties

Compound NameN'-methyl-N-(2-morpholin-4-ylphenyl)-N'-(2-pyridin-4-ylethyl)propanediamide
PubChem CID108948987
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC NameN'-methyl-N-(2-morpholin-4-ylphenyl)-N'-(2-pyridin-4-ylethyl)propanediamide
SMILESCN(CCc1ccncc1)C(=O)CC(=O)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C21H26N4O3/c1-24(11-8-17-6-9-22-10-7-17)21(27)16-20(26)23-18-4-2-3-5-19(18)25-12-14-28-15-13-25/h2-7,9-10H,8,11-16H2,1H3,(H,23,26)
InChIKeyJECVLIMVTGIFGB-UHFFFAOYSA-N
XLogP1.95
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-3-(2-morpholin-4-ylanilino)-N-(2-pyridin-4-ylethyl)propanamide
CID 109026104
N-(2-chlorophenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)propanediamide
CID 108948946
N',N'-diethyl-N-(2-morpholin-4-ylphenyl)propanediamide
CID 108951131
N-(2-morpholin-4-ylphenyl)-3-(pyridin-4-ylmethylamino)propanamide
CID 109024044
N-(2-morpholin-4-ylphenyl)-3-oxobutanamide
CID 18071535
ethyl 2-[[3-[methyl(2-pyridin-4-ylethyl)amino]-3-oxopropanoyl]amino]benzoate
CID 108949017
N'-benzyl-N'-ethyl-N-(2-morpholin-4-ylphenyl)propanediamide
CID 108947398
2-bromo-N-(2-morpholin-4-ylphenyl)acetamide
CID 60650852
2-[3-(dimethylamino)propylamino]-N-(2-morpholin-4-ylphenyl)acetamide
CID 3229652
2-morpholin-4-yl-N-(pyridin-4-ylmethyl)aniline
CID 43229589
3-N-methyl-5-N-(2-morpholin-4-ylphenyl)-3-N-(2-pyridin-4-ylethyl)-1,2,4-triazine-3,5-diamine
CID 112954784
2-[acetyl(propan-2-yl)amino]-N-(2-morpholin-4-ylphenyl)acetamide
CID 113158255

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-(2-morpholin-4-ylphenyl)-N'-(2-pyridin-4-ylethyl)propanediamide?
The IUPAC name of N'-methyl-N-(2-morpholin-4-ylphenyl)-N'-(2-pyridin-4-ylethyl)propanediamide (CID 108948987) is N'-methyl-N-(2-morpholin-4-ylphenyl)-N'-(2-pyridin-4-ylethyl)propanediamide.
What is the SMILES notation for N'-methyl-N-(2-morpholin-4-ylphenyl)-N'-(2-pyridin-4-ylethyl)propanediamide?
The canonical SMILES for N'-methyl-N-(2-morpholin-4-ylphenyl)-N'-(2-pyridin-4-ylethyl)propanediamide is CN(CCc1ccncc1)C(=O)CC(=O)Nc1ccccc1N1CCOCC1.
What is the InChIKey of N'-methyl-N-(2-morpholin-4-ylphenyl)-N'-(2-pyridin-4-ylethyl)propanediamide?
The InChIKey is JECVLIMVTGIFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-24(11-8-17-6-9-22-10-7-17)21(27)16-20(26)23-18-4-2-3-5-19(18)25-12-14-28-15-13-25/h2-7,9-10H,8,11-16H2,1H3,(H,23,26).
What are the key properties of N'-methyl-N-(2-morpholin-4-ylphenyl)-N'-(2-pyridin-4-ylethyl)propanediamide?
N'-methyl-N-(2-morpholin-4-ylphenyl)-N'-(2-pyridin-4-ylethyl)propanediamide has a molecular weight of 382.46 g/mol, XLogP of 1.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-(2-morpholin-4-ylphenyl)-N'-(2-pyridin-4-ylethyl)propanediamide is sourced from PubChem (CID 108948987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).