4-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethoxy]-N-morpholin-4-ylbenzamide

C18H19ClN4O4 — CID 141108855

IUPAC4-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethoxy]-N-morpholin-4-ylbenzamide
SMILESO=C(COc1ccc(C(=O)NN2CCOCC2)cc1)Nc1ccc(Cl)cn1
InChIInChI=1S/C18H19ClN4O4/c19-14-3-6-16(20-11-14)21-17(24)12-27-15-4-1-13(2-5-15)18(25)22-23-7-9-26-10-8-23/h1-6,11H,7-10,12H2,(H,22,25)(H,20,21,24)
InChIKeyHCMRLBZJZWIBMY-UHFFFAOYSA-N
MW390.83 g/mol
LogP1.73
Rot. Bonds6

About 4-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethoxy]-N-morpholin-4-ylbenzamide

4-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethoxy]-N-morpholin-4-ylbenzamide (PubChem CID 141108855) has the molecular formula C18H19ClN4O4 and a molecular weight of 390.83 g/mol. Its IUPAC name is 4-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethoxy]-N-morpholin-4-ylbenzamide.

Molecular Properties

Compound Name4-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethoxy]-N-morpholin-4-ylbenzamide
PubChem CID141108855
Molecular FormulaC18H19ClN4O4
Molecular Weight390.83 g/mol
Exact Mass390.11
IUPAC Name4-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethoxy]-N-morpholin-4-ylbenzamide
SMILESO=C(COc1ccc(C(=O)NN2CCOCC2)cc1)Nc1ccc(Cl)cn1
InChIInChI=1S/C18H19ClN4O4/c19-14-3-6-16(20-11-14)21-17(24)12-27-15-4-1-13(2-5-15)18(25)22-23-7-9-26-10-8-23/h1-6,11H,7-10,12H2,(H,22,25)(H,20,21,24)
InChIKeyHCMRLBZJZWIBMY-UHFFFAOYSA-N
XLogP1.73
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.83
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-chloro-2-pyridinyl)-2-(4-ethoxyphenoxy)acetamide
CID 34135089
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate
CID 16527536
2-(4-acetylphenoxy)-N-(5-morpholin-4-yl-2-pyridinyl)acetamide
CID 38142916
N-(5-chloro-2-pyridinyl)-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide
CID 55436153
N-[5-(4-chloroanilino)-2-pyridinyl]-2-(4-chlorophenoxy)acetamide
CID 113033388
1-[(4-chlorophenoxy)methyl]-N-morpholin-4-ylpyrazole-3-carboxamide
CID 4774610
2-(4-chlorophenoxy)-N-(5-piperazin-1-yl-2-pyridinyl)acetamide;hydrochloride
CID 119494378
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 2590310
2-(4-chlorophenoxy)-N-(2-morpholin-4-ylphenyl)acetamide
CID 1078563
N-(5-chloro-2-morpholin-4-ylphenyl)-2-(4-chlorophenoxy)acetamide
CID 4665478
N-(5-chloro-2-methylphenyl)-2-[4-(morpholine-4-carbothioyl)phenoxy]acetamide
CID 126259552
6-[[2-(4-methylphenoxy)acetyl]amino]pyridine-3-carboxylic acid
CID 61319402

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethoxy]-N-morpholin-4-ylbenzamide?
The IUPAC name of 4-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethoxy]-N-morpholin-4-ylbenzamide (CID 141108855) is 4-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethoxy]-N-morpholin-4-ylbenzamide.
What is the SMILES notation for 4-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethoxy]-N-morpholin-4-ylbenzamide?
The canonical SMILES for 4-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethoxy]-N-morpholin-4-ylbenzamide is O=C(COc1ccc(C(=O)NN2CCOCC2)cc1)Nc1ccc(Cl)cn1.
What is the InChIKey of 4-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethoxy]-N-morpholin-4-ylbenzamide?
The InChIKey is HCMRLBZJZWIBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O4/c19-14-3-6-16(20-11-14)21-17(24)12-27-15-4-1-13(2-5-15)18(25)22-23-7-9-26-10-8-23/h1-6,11H,7-10,12H2,(H,22,25)(H,20,21,24).
What are the key properties of 4-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethoxy]-N-morpholin-4-ylbenzamide?
4-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethoxy]-N-morpholin-4-ylbenzamide has a molecular weight of 390.83 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethoxy]-N-morpholin-4-ylbenzamide is sourced from PubChem (CID 141108855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).