3-(6-methyl-2-pyridinyl)propyl 4-[(4-chlorobenzoyl)amino]butanoate

C20H23ClN2O3 — CID 78769337

IUPAC3-(6-methyl-2-pyridinyl)propyl 4-[(4-chlorobenzoyl)amino]butanoate
SMILESCc1cccc(CCCOC(=O)CCCNC(=O)c2ccc(Cl)cc2)n1
InChIInChI=1S/C20H23ClN2O3/c1-15-5-2-6-18(23-15)7-4-14-26-19(24)8-3-13-22-20(25)16-9-11-17(21)12-10-16/h2,5-6,9-12H,3-4,7-8,13-14H2,1H3,(H,22,25)
InChIKeyRFTCXYIHYFMPDF-UHFFFAOYSA-N
MW374.87 g/mol
LogP3.73
Rot. Bonds9

About 3-(6-methyl-2-pyridinyl)propyl 4-[(4-chlorobenzoyl)amino]butanoate

3-(6-methyl-2-pyridinyl)propyl 4-[(4-chlorobenzoyl)amino]butanoate (PubChem CID 78769337) has the molecular formula C20H23ClN2O3 and a molecular weight of 374.87 g/mol. Its IUPAC name is 3-(6-methyl-2-pyridinyl)propyl 4-[(4-chlorobenzoyl)amino]butanoate.

Molecular Properties

Compound Name3-(6-methyl-2-pyridinyl)propyl 4-[(4-chlorobenzoyl)amino]butanoate
PubChem CID78769337
Molecular FormulaC20H23ClN2O3
Molecular Weight374.87 g/mol
Exact Mass374.14
IUPAC Name3-(6-methyl-2-pyridinyl)propyl 4-[(4-chlorobenzoyl)amino]butanoate
SMILESCc1cccc(CCCOC(=O)CCCNC(=O)c2ccc(Cl)cc2)n1
InChIInChI=1S/C20H23ClN2O3/c1-15-5-2-6-18(23-15)7-4-14-26-19(24)8-3-13-22-20(25)16-9-11-17(21)12-10-16/h2,5-6,9-12H,3-4,7-8,13-14H2,1H3,(H,22,25)
InChIKeyRFTCXYIHYFMPDF-UHFFFAOYSA-N
XLogP3.73
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(6-methyl-2-pyridinyl)propyl 4-(furan-2-carbonylamino)butanoate
CID 86977764
(2,6-dimethylphenyl) 4-[(4-chlorobenzoyl)amino]butanoate
CID 2493229
2-(1,3-dioxoisoindol-2-yl)ethyl 4-[(4-chlorobenzoyl)amino]butanoate
CID 2488094
[2-(methylamino)-2-oxoethyl] 4-[(4-chlorobenzoyl)amino]butanoate
CID 4795054
[2-(3,4-dimethylphenyl)-2-oxoethyl] 4-[(4-chlorobenzoyl)amino]butanoate
CID 32698206
[2-(3-methylanilino)-2-oxoethyl] 4-[(4-chlorobenzoyl)amino]butanoate
CID 78762583
[2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 4-[(4-chlorobenzoyl)amino]butanoate
CID 27915905
3-(6-methyl-2-pyridinyl)propyl 2-(4-acetamidophenyl)acetate
CID 78804341
(4-propoxyphenyl) 4-[(4-chlorobenzoyl)amino]butanoate
CID 26197497
1H-benzimidazol-2-ylmethyl 4-[(4-chlorobenzoyl)amino]butanoate
CID 4884043
ethyl 4-[(4-carbamoylbenzoyl)amino]butanoate
CID 37260222
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 4-[(4-chlorobenzoyl)amino]butanoate
CID 28571186

Frequently Asked Questions

What is the IUPAC name of 3-(6-methyl-2-pyridinyl)propyl 4-[(4-chlorobenzoyl)amino]butanoate?
The IUPAC name of 3-(6-methyl-2-pyridinyl)propyl 4-[(4-chlorobenzoyl)amino]butanoate (CID 78769337) is 3-(6-methyl-2-pyridinyl)propyl 4-[(4-chlorobenzoyl)amino]butanoate.
What is the SMILES notation for 3-(6-methyl-2-pyridinyl)propyl 4-[(4-chlorobenzoyl)amino]butanoate?
The canonical SMILES for 3-(6-methyl-2-pyridinyl)propyl 4-[(4-chlorobenzoyl)amino]butanoate is Cc1cccc(CCCOC(=O)CCCNC(=O)c2ccc(Cl)cc2)n1.
What is the InChIKey of 3-(6-methyl-2-pyridinyl)propyl 4-[(4-chlorobenzoyl)amino]butanoate?
The InChIKey is RFTCXYIHYFMPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3/c1-15-5-2-6-18(23-15)7-4-14-26-19(24)8-3-13-22-20(25)16-9-11-17(21)12-10-16/h2,5-6,9-12H,3-4,7-8,13-14H2,1H3,(H,22,25).
What are the key properties of 3-(6-methyl-2-pyridinyl)propyl 4-[(4-chlorobenzoyl)amino]butanoate?
3-(6-methyl-2-pyridinyl)propyl 4-[(4-chlorobenzoyl)amino]butanoate has a molecular weight of 374.87 g/mol, XLogP of 3.73, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methyl-2-pyridinyl)propyl 4-[(4-chlorobenzoyl)amino]butanoate is sourced from PubChem (CID 78769337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).