2-(pyridine-3-carbonylamino)ethyl 2-(4-methylphenyl)acetate;hydrochloride

C17H19ClN2O3 — CID 6602992

IUPAC2-(pyridine-3-carbonylamino)ethyl 2-(4-methylphenyl)acetate;hydrochloride
SMILESCc1ccc(CC(=O)OCCNC(=O)c2cccnc2)cc1.Cl
InChIInChI=1S/C17H18N2O3.ClH/c1-13-4-6-14(7-5-13)11-16(20)22-10-9-19-17(21)15-3-2-8-18-12-15;/h2-8,12H,9-11H2,1H3,(H,19,21);1H
InChIKeyGZDGXVJGAIXFNC-UHFFFAOYSA-N
MW334.80 g/mol
LogP2.33
Rot. Bonds6

About 2-(pyridine-3-carbonylamino)ethyl 2-(4-methylphenyl)acetate;hydrochloride

2-(pyridine-3-carbonylamino)ethyl 2-(4-methylphenyl)acetate;hydrochloride (PubChem CID 6602992) has the molecular formula C17H19ClN2O3 and a molecular weight of 334.80 g/mol. Its IUPAC name is 2-(pyridine-3-carbonylamino)ethyl 2-(4-methylphenyl)acetate;hydrochloride.

Molecular Properties

Compound Name2-(pyridine-3-carbonylamino)ethyl 2-(4-methylphenyl)acetate;hydrochloride
PubChem CID6602992
Molecular FormulaC17H19ClN2O3
Molecular Weight334.80 g/mol
Exact Mass334.11
IUPAC Name2-(pyridine-3-carbonylamino)ethyl 2-(4-methylphenyl)acetate;hydrochloride
SMILESCc1ccc(CC(=O)OCCNC(=O)c2cccnc2)cc1.Cl
InChIInChI=1S/C17H18N2O3.ClH/c1-13-4-6-14(7-5-13)11-16(20)22-10-9-19-17(21)15-3-2-8-18-12-15;/h2-8,12H,9-11H2,1H3,(H,19,21);1H
InChIKeyGZDGXVJGAIXFNC-UHFFFAOYSA-N
XLogP2.33
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.80
LogP ≤ 52.33
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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Frequently Asked Questions

What is the IUPAC name of 2-(pyridine-3-carbonylamino)ethyl 2-(4-methylphenyl)acetate;hydrochloride?
The IUPAC name of 2-(pyridine-3-carbonylamino)ethyl 2-(4-methylphenyl)acetate;hydrochloride (CID 6602992) is 2-(pyridine-3-carbonylamino)ethyl 2-(4-methylphenyl)acetate;hydrochloride.
What is the SMILES notation for 2-(pyridine-3-carbonylamino)ethyl 2-(4-methylphenyl)acetate;hydrochloride?
The canonical SMILES for 2-(pyridine-3-carbonylamino)ethyl 2-(4-methylphenyl)acetate;hydrochloride is Cc1ccc(CC(=O)OCCNC(=O)c2cccnc2)cc1.Cl.
What is the InChIKey of 2-(pyridine-3-carbonylamino)ethyl 2-(4-methylphenyl)acetate;hydrochloride?
The InChIKey is GZDGXVJGAIXFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3.ClH/c1-13-4-6-14(7-5-13)11-16(20)22-10-9-19-17(21)15-3-2-8-18-12-15;/h2-8,12H,9-11H2,1H3,(H,19,21);1H.
What are the key properties of 2-(pyridine-3-carbonylamino)ethyl 2-(4-methylphenyl)acetate;hydrochloride?
2-(pyridine-3-carbonylamino)ethyl 2-(4-methylphenyl)acetate;hydrochloride has a molecular weight of 334.80 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridine-3-carbonylamino)ethyl 2-(4-methylphenyl)acetate;hydrochloride is sourced from PubChem (CID 6602992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).