2-(pyridine-4-carbonylamino)ethyl 3-methyl-5-phenylpentanoate

C20H24N2O3 — CID 86868821

IUPAC2-(pyridine-4-carbonylamino)ethyl 3-methyl-5-phenylpentanoate
SMILESCC(CCc1ccccc1)CC(=O)OCCNC(=O)c1ccncc1
InChIInChI=1S/C20H24N2O3/c1-16(7-8-17-5-3-2-4-6-17)15-19(23)25-14-13-22-20(24)18-9-11-21-12-10-18/h2-6,9-12,16H,7-8,13-15H2,1H3,(H,22,24)
InChIKeyAAGZQTMBAINUFH-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.01
Rot. Bonds9

About 2-(pyridine-4-carbonylamino)ethyl 3-methyl-5-phenylpentanoate

2-(pyridine-4-carbonylamino)ethyl 3-methyl-5-phenylpentanoate (PubChem CID 86868821) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 2-(pyridine-4-carbonylamino)ethyl 3-methyl-5-phenylpentanoate.

Molecular Properties

Compound Name2-(pyridine-4-carbonylamino)ethyl 3-methyl-5-phenylpentanoate
PubChem CID86868821
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name2-(pyridine-4-carbonylamino)ethyl 3-methyl-5-phenylpentanoate
SMILESCC(CCc1ccccc1)CC(=O)OCCNC(=O)c1ccncc1
InChIInChI=1S/C20H24N2O3/c1-16(7-8-17-5-3-2-4-6-17)15-19(23)25-14-13-22-20(24)18-9-11-21-12-10-18/h2-6,9-12,16H,7-8,13-15H2,1H3,(H,22,24)
InChIKeyAAGZQTMBAINUFH-UHFFFAOYSA-N
XLogP3.01
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.01
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

N-(4-phenylbutan-2-yl)pyridine-4-carboxamide
CID 3246771
2-benzamidoethyl pyridine-4-carboxylate
CID 2174536
2-(pyridine-4-carbonylamino)ethyl 3-(3-chlorophenyl)propanoate
CID 52708800
N-(2-trimethylsilyloxyethyl)pyridine-4-carboxamide
CID 11064466
3-methyl-5-phenylpentanamide
CID 66761020
2-(pyridine-4-carbonylamino)ethyl 2-(4-tert-butylphenoxy)acetate
CID 3405696
2-(pyridine-4-carbonylamino)ethyl 2-(2-prop-2-enylphenoxy)acetate
CID 3406198
N-benzylpyridine-4-carboxamide;hydrochloride
CID 110755427
3-(pyridine-4-carbonylamino)propyl hydrogen carbonate
CID 130453907
N-[2-(4-ethylphenyl)ethyl]pyridine-4-carboxamide
CID 110787242
N-(4-aminooxybutyl)pyridine-4-carboxamide
CID 139932357
1-N,4-N-bis(2-phenylethyl)benzene-1,4-dicarboxamide
CID 984633

Frequently Asked Questions

What is the IUPAC name of 2-(pyridine-4-carbonylamino)ethyl 3-methyl-5-phenylpentanoate?
The IUPAC name of 2-(pyridine-4-carbonylamino)ethyl 3-methyl-5-phenylpentanoate (CID 86868821) is 2-(pyridine-4-carbonylamino)ethyl 3-methyl-5-phenylpentanoate.
What is the SMILES notation for 2-(pyridine-4-carbonylamino)ethyl 3-methyl-5-phenylpentanoate?
The canonical SMILES for 2-(pyridine-4-carbonylamino)ethyl 3-methyl-5-phenylpentanoate is CC(CCc1ccccc1)CC(=O)OCCNC(=O)c1ccncc1.
What is the InChIKey of 2-(pyridine-4-carbonylamino)ethyl 3-methyl-5-phenylpentanoate?
The InChIKey is AAGZQTMBAINUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-16(7-8-17-5-3-2-4-6-17)15-19(23)25-14-13-22-20(24)18-9-11-21-12-10-18/h2-6,9-12,16H,7-8,13-15H2,1H3,(H,22,24).
What are the key properties of 2-(pyridine-4-carbonylamino)ethyl 3-methyl-5-phenylpentanoate?
2-(pyridine-4-carbonylamino)ethyl 3-methyl-5-phenylpentanoate has a molecular weight of 340.42 g/mol, XLogP of 3.01, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridine-4-carbonylamino)ethyl 3-methyl-5-phenylpentanoate is sourced from PubChem (CID 86868821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).