3-(N-acetyl-2-morpholin-4-ylanilino)-N-(pyridin-3-ylmethyl)propanamide

C21H26N4O3 — CID 113132180

IUPAC3-(N-acetyl-2-morpholin-4-ylanilino)-N-(pyridin-3-ylmethyl)propanamide
SMILESCC(=O)N(CCC(=O)NCc1cccnc1)c1ccccc1N1CCOCC1
InChIInChI=1S/C21H26N4O3/c1-17(26)25(10-8-21(27)23-16-18-5-4-9-22-15-18)20-7-3-2-6-19(20)24-11-13-28-14-12-24/h2-7,9,15H,8,10-14,16H2,1H3,(H,23,27)
InChIKeyIOPXRDIOBQAQMH-UHFFFAOYSA-N
MW382.46 g/mol
LogP1.98
Rot. Bonds7

About 3-(N-acetyl-2-morpholin-4-ylanilino)-N-(pyridin-3-ylmethyl)propanamide

3-(N-acetyl-2-morpholin-4-ylanilino)-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 113132180) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is 3-(N-acetyl-2-morpholin-4-ylanilino)-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-2-morpholin-4-ylanilino)-N-(pyridin-3-ylmethyl)propanamide
PubChem CID113132180
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name3-(N-acetyl-2-morpholin-4-ylanilino)-N-(pyridin-3-ylmethyl)propanamide
SMILESCC(=O)N(CCC(=O)NCc1cccnc1)c1ccccc1N1CCOCC1
InChIInChI=1S/C21H26N4O3/c1-17(26)25(10-8-21(27)23-16-18-5-4-9-22-15-18)20-7-3-2-6-19(20)24-11-13-28-14-12-24/h2-7,9,15H,8,10-14,16H2,1H3,(H,23,27)
InChIKeyIOPXRDIOBQAQMH-UHFFFAOYSA-N
XLogP1.98
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 ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(N-acetyl-2-morpholin-4-ylanilino)-N-cyclopropylpropanamide
CID 113132150
3-(N-acetyl-2,3-dichloroanilino)-N-(pyridin-3-ylmethyl)propanamide
CID 113134300
3-(N-acetyl-2-morpholin-4-ylanilino)-N-cyclohexylpropanamide
CID 113132158
3-(N-acetyl-2-morpholin-4-ylanilino)-N-(4-methylphenyl)propanamide
CID 113132196
3-(N-acetyl-4-ethylanilino)-N-(pyridin-3-ylmethyl)propanamide
CID 113125365
3-(N-acetyl-2-ethyl-6-methylanilino)-N-(pyridin-3-ylmethyl)propanamide
CID 113125538
3-(N-acetyl-2-fluoroanilino)-N-(2-morpholin-4-ylphenyl)propanamide
CID 113126781
3-morpholin-4-yl-3-oxo-N-(pyridin-3-ylmethyl)propanamide
CID 108943446
ethyl N-[2-(N-acetyl-2-morpholin-4-ylanilino)ethyl]carbamate
CID 113062485
2-(N-acetylanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 113167103
ethyl 4-[acetyl-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]amino]piperidine-1-carboxylate
CID 113122149
3-[acetyl(butan-2-yl)amino]-N-(pyridin-3-ylmethyl)propanamide
CID 113116146

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2-morpholin-4-ylanilino)-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of 3-(N-acetyl-2-morpholin-4-ylanilino)-N-(pyridin-3-ylmethyl)propanamide (CID 113132180) is 3-(N-acetyl-2-morpholin-4-ylanilino)-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-2-morpholin-4-ylanilino)-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for 3-(N-acetyl-2-morpholin-4-ylanilino)-N-(pyridin-3-ylmethyl)propanamide is CC(=O)N(CCC(=O)NCc1cccnc1)c1ccccc1N1CCOCC1.
What is the InChIKey of 3-(N-acetyl-2-morpholin-4-ylanilino)-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is IOPXRDIOBQAQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-17(26)25(10-8-21(27)23-16-18-5-4-9-22-15-18)20-7-3-2-6-19(20)24-11-13-28-14-12-24/h2-7,9,15H,8,10-14,16H2,1H3,(H,23,27).
What are the key properties of 3-(N-acetyl-2-morpholin-4-ylanilino)-N-(pyridin-3-ylmethyl)propanamide?
3-(N-acetyl-2-morpholin-4-ylanilino)-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 382.46 g/mol, XLogP of 1.98, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-2-morpholin-4-ylanilino)-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 113132180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).