4-(4-chlorophenyl)-N-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]-4-oxobutanamide

C21H24ClN3O4 — CID 84558648

IUPAC4-(4-chlorophenyl)-N-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]-4-oxobutanamide
SMILESO=C(CCC(=O)c1ccc(Cl)cc1)Nc1ccc(OCCN2CCOCC2)nc1
InChIInChI=1S/C21H24ClN3O4/c22-17-3-1-16(2-4-17)19(26)6-7-20(27)24-18-5-8-21(23-15-18)29-14-11-25-9-12-28-13-10-25/h1-5,8,15H,6-7,9-14H2,(H,24,27)
InChIKeyNWHGJXNHKIIRJD-UHFFFAOYSA-N
MW417.89 g/mol
LogP3.05
Rot. Bonds9

About 4-(4-chlorophenyl)-N-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]-4-oxobutanamide

4-(4-chlorophenyl)-N-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]-4-oxobutanamide (PubChem CID 84558648) has the molecular formula C21H24ClN3O4 and a molecular weight of 417.89 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]-4-oxobutanamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]-4-oxobutanamide
PubChem CID84558648
Molecular FormulaC21H24ClN3O4
Molecular Weight417.89 g/mol
Exact Mass417.15
IUPAC Name4-(4-chlorophenyl)-N-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]-4-oxobutanamide
SMILESO=C(CCC(=O)c1ccc(Cl)cc1)Nc1ccc(OCCN2CCOCC2)nc1
InChIInChI=1S/C21H24ClN3O4/c22-17-3-1-16(2-4-17)19(26)6-7-20(27)24-18-5-8-21(23-15-18)29-14-11-25-9-12-28-13-10-25/h1-5,8,15H,6-7,9-14H2,(H,24,27)
InChIKeyNWHGJXNHKIIRJD-UHFFFAOYSA-N
XLogP3.05
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.89
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(4-chlorophenyl)-N-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]-4-oxobutanamide with MolForge

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Related Compounds

1-(3-chlorophenyl)-3-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]urea
CID 84559837
N-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]pyridine-4-carboxamide
CID 84559427
N-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]-1H-indole-6-carboxamide
CID 84561960
3-ethoxy-N-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]benzamide
CID 84559063
N-[4-chloro-3-(1,5-dimethylimidazol-2-yl)phenyl]-6-(2-morpholin-4-ylethoxy)pyridine-3-carboxamide
CID 71025336
4-(4-chlorophenyl)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-oxobutanamide
CID 108743738
4-(4-chlorophenyl)-N-(4-fluorophenyl)-4-oxobutanamide
CID 42029067
3-(4-chlorophenyl)sulfanyl-N-[4-(2-morpholin-4-ylethyl)phenyl]propanamide
CID 55905661
1-[4-(2-morpholin-4-ylethoxy)phenyl]butan-1-one
CID 66821978
6-(2-morpholin-4-ylethoxy)-N-[(4-pentoxyphenyl)carbamothioyl]pyridine-3-carboxamide
CID 59700734
2-(4-chlorophenoxy)-N-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]acetamide
CID 68850357
3-[acetyl(2-morpholin-4-ylethyl)amino]-N-(4-chlorophenyl)propanamide
CID 113117743

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]-4-oxobutanamide?
The IUPAC name of 4-(4-chlorophenyl)-N-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]-4-oxobutanamide (CID 84558648) is 4-(4-chlorophenyl)-N-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]-4-oxobutanamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]-4-oxobutanamide?
The canonical SMILES for 4-(4-chlorophenyl)-N-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]-4-oxobutanamide is O=C(CCC(=O)c1ccc(Cl)cc1)Nc1ccc(OCCN2CCOCC2)nc1.
What is the InChIKey of 4-(4-chlorophenyl)-N-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]-4-oxobutanamide?
The InChIKey is NWHGJXNHKIIRJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O4/c22-17-3-1-16(2-4-17)19(26)6-7-20(27)24-18-5-8-21(23-15-18)29-14-11-25-9-12-28-13-10-25/h1-5,8,15H,6-7,9-14H2,(H,24,27).
What are the key properties of 4-(4-chlorophenyl)-N-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]-4-oxobutanamide?
4-(4-chlorophenyl)-N-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]-4-oxobutanamide has a molecular weight of 417.89 g/mol, XLogP of 3.05, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]-4-oxobutanamide is sourced from PubChem (CID 84558648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).