4-acetamido-N-[2-[2-methyl-5-(morpholine-4-carbonyl)pyrimidin-4-yl]ethyl]benzamide

C21H25N5O4 — CID 92618522

IUPAC4-acetamido-N-[2-[2-methyl-5-(morpholine-4-carbonyl)pyrimidin-4-yl]ethyl]benzamide
SMILESCC(=O)Nc1ccc(C(=O)NCCc2nc(C)ncc2C(=O)N2CCOCC2)cc1
InChIInChI=1S/C21H25N5O4/c1-14-23-13-18(21(29)26-9-11-30-12-10-26)19(24-14)7-8-22-20(28)16-3-5-17(6-4-16)25-15(2)27/h3-6,13H,7-12H2,1-2H3,(H,22,28)(H,25,27)
InChIKeyGWZZAHCYCVGBGS-UHFFFAOYSA-N
MW411.46 g/mol
LogP1.19
Rot. Bonds6

About 4-acetamido-N-[2-[2-methyl-5-(morpholine-4-carbonyl)pyrimidin-4-yl]ethyl]benzamide

4-acetamido-N-[2-[2-methyl-5-(morpholine-4-carbonyl)pyrimidin-4-yl]ethyl]benzamide (PubChem CID 92618522) has the molecular formula C21H25N5O4 and a molecular weight of 411.46 g/mol. Its IUPAC name is 4-acetamido-N-[2-[2-methyl-5-(morpholine-4-carbonyl)pyrimidin-4-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-acetamido-N-[2-[2-methyl-5-(morpholine-4-carbonyl)pyrimidin-4-yl]ethyl]benzamide
PubChem CID92618522
Molecular FormulaC21H25N5O4
Molecular Weight411.46 g/mol
Exact Mass411.19
IUPAC Name4-acetamido-N-[2-[2-methyl-5-(morpholine-4-carbonyl)pyrimidin-4-yl]ethyl]benzamide
SMILESCC(=O)Nc1ccc(C(=O)NCCc2nc(C)ncc2C(=O)N2CCOCC2)cc1
InChIInChI=1S/C21H25N5O4/c1-14-23-13-18(21(29)26-9-11-30-12-10-26)19(24-14)7-8-22-20(28)16-3-5-17(6-4-16)25-15(2)27/h3-6,13H,7-12H2,1-2H3,(H,22,28)(H,25,27)
InChIKeyGWZZAHCYCVGBGS-UHFFFAOYSA-N
XLogP1.19
TPSA113.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-4-(morpholine-4-carbonyl)benzamide
CID 91838615
4-acetamido-N-[2-(1,3-oxazol-4-yl)ethyl]benzamide
CID 110743557
4-[[2-[4-(morpholine-4-carbonyl)anilino]acetyl]amino]-N-propylbenzamide
CID 54831969
N-[2-[2-morpholin-4-yl-5-(pyrrolidine-1-carbonyl)pyrimidin-4-yl]ethyl]pyridine-3-carboxamide
CID 95816321
N-ethyl-4-[[2-[4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]benzamide
CID 54839441
N-[4-[[4-[4-methyl-5-(morpholine-4-carbonyl)pyrimidin-2-yl]piperidin-1-yl]methyl]phenyl]acetamide
CID 92640356
N-[3-(dimethylamino)propyl]-4-(morpholine-4-carbonyl)benzamide
CID 109045407
4-acetamido-N-(2-morpholin-4-ium-4-ylethyl)benzamide
CID 4753621
N-(4-acetamidophenyl)-6-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide
CID 109154071
4-(acetamidomethyl)-N-[2-methyl-3-(morpholine-4-carbonyl)phenyl]benzamide
CID 136578771
N-(3-acetamidophenyl)-4-(morpholine-4-carbonyl)benzamide
CID 109045524
N-[4-[[5-(morpholine-4-carbonyl)pyrazin-2-yl]amino]phenyl]acetamide
CID 109276515

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-[2-[2-methyl-5-(morpholine-4-carbonyl)pyrimidin-4-yl]ethyl]benzamide?
The IUPAC name of 4-acetamido-N-[2-[2-methyl-5-(morpholine-4-carbonyl)pyrimidin-4-yl]ethyl]benzamide (CID 92618522) is 4-acetamido-N-[2-[2-methyl-5-(morpholine-4-carbonyl)pyrimidin-4-yl]ethyl]benzamide.
What is the SMILES notation for 4-acetamido-N-[2-[2-methyl-5-(morpholine-4-carbonyl)pyrimidin-4-yl]ethyl]benzamide?
The canonical SMILES for 4-acetamido-N-[2-[2-methyl-5-(morpholine-4-carbonyl)pyrimidin-4-yl]ethyl]benzamide is CC(=O)Nc1ccc(C(=O)NCCc2nc(C)ncc2C(=O)N2CCOCC2)cc1.
What is the InChIKey of 4-acetamido-N-[2-[2-methyl-5-(morpholine-4-carbonyl)pyrimidin-4-yl]ethyl]benzamide?
The InChIKey is GWZZAHCYCVGBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O4/c1-14-23-13-18(21(29)26-9-11-30-12-10-26)19(24-14)7-8-22-20(28)16-3-5-17(6-4-16)25-15(2)27/h3-6,13H,7-12H2,1-2H3,(H,22,28)(H,25,27).
What are the key properties of 4-acetamido-N-[2-[2-methyl-5-(morpholine-4-carbonyl)pyrimidin-4-yl]ethyl]benzamide?
4-acetamido-N-[2-[2-methyl-5-(morpholine-4-carbonyl)pyrimidin-4-yl]ethyl]benzamide has a molecular weight of 411.46 g/mol, XLogP of 1.19, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-[2-[2-methyl-5-(morpholine-4-carbonyl)pyrimidin-4-yl]ethyl]benzamide is sourced from PubChem (CID 92618522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).