2-(pyridine-3-carbonylamino)ethyl 2-(2,4,6-trimethylphenoxy)acetate

C19H22N2O4 — CID 2132796

IUPAC2-(pyridine-3-carbonylamino)ethyl 2-(2,4,6-trimethylphenoxy)acetate
SMILESCc1cc(C)c(OCC(=O)OCCNC(=O)c2cccnc2)c(C)c1
InChIInChI=1S/C19H22N2O4/c1-13-9-14(2)18(15(3)10-13)25-12-17(22)24-8-7-21-19(23)16-5-4-6-20-11-16/h4-6,9-11H,7-8,12H2,1-3H3,(H,21,23)
InChIKeyNQHMRJGYLASPHK-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.36
Rot. Bonds7

About 2-(pyridine-3-carbonylamino)ethyl 2-(2,4,6-trimethylphenoxy)acetate

2-(pyridine-3-carbonylamino)ethyl 2-(2,4,6-trimethylphenoxy)acetate (PubChem CID 2132796) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-(pyridine-3-carbonylamino)ethyl 2-(2,4,6-trimethylphenoxy)acetate.

Molecular Properties

Compound Name2-(pyridine-3-carbonylamino)ethyl 2-(2,4,6-trimethylphenoxy)acetate
PubChem CID2132796
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name2-(pyridine-3-carbonylamino)ethyl 2-(2,4,6-trimethylphenoxy)acetate
SMILESCc1cc(C)c(OCC(=O)OCCNC(=O)c2cccnc2)c(C)c1
InChIInChI=1S/C19H22N2O4/c1-13-9-14(2)18(15(3)10-13)25-12-17(22)24-8-7-21-19(23)16-5-4-6-20-11-16/h4-6,9-11H,7-8,12H2,1-3H3,(H,21,23)
InChIKeyNQHMRJGYLASPHK-UHFFFAOYSA-N
XLogP2.36
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]pyridine-3-carboxamide;hydrochloride
CID 110790885
N-[2-(3,5-difluorophenoxy)ethyl]pyridine-3-carboxamide
CID 110481998
2-(pyridine-3-carbonylamino)ethyl 3-methoxybenzoate chloride
CID 21236630
N-[2-(3-chlorophenoxy)ethyl]pyridine-3-carboxamide
CID 113099430
N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]pyridine-3-carboxamide
CID 7303331
N-[3-[(3-methylbenzoyl)amino]propyl]pyridine-3-carboxamide
CID 2985562
(3-methoxyphenyl) 2-(pyridine-3-carbonylamino)ethyl carbonate;hydrochloride
CID 154774391
N-[3-[(3,4,5-trimethoxybenzoyl)amino]propyl]pyridine-3-carboxamide
CID 108926572
N'-[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]pyridine-3-carbohydrazide
CID 39716937
N-[(2-methoxy-4,6-dimethylphenyl)methyl]pyridine-3-carboxamide;hydrochloride
CID 110784884
2-(pyridine-3-carbonylamino)ethyl 2-phenylbutanoate
CID 69106862
N-[2-[(2-methylbenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 2985921

Frequently Asked Questions

What is the IUPAC name of 2-(pyridine-3-carbonylamino)ethyl 2-(2,4,6-trimethylphenoxy)acetate?
The IUPAC name of 2-(pyridine-3-carbonylamino)ethyl 2-(2,4,6-trimethylphenoxy)acetate (CID 2132796) is 2-(pyridine-3-carbonylamino)ethyl 2-(2,4,6-trimethylphenoxy)acetate.
What is the SMILES notation for 2-(pyridine-3-carbonylamino)ethyl 2-(2,4,6-trimethylphenoxy)acetate?
The canonical SMILES for 2-(pyridine-3-carbonylamino)ethyl 2-(2,4,6-trimethylphenoxy)acetate is Cc1cc(C)c(OCC(=O)OCCNC(=O)c2cccnc2)c(C)c1.
What is the InChIKey of 2-(pyridine-3-carbonylamino)ethyl 2-(2,4,6-trimethylphenoxy)acetate?
The InChIKey is NQHMRJGYLASPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-13-9-14(2)18(15(3)10-13)25-12-17(22)24-8-7-21-19(23)16-5-4-6-20-11-16/h4-6,9-11H,7-8,12H2,1-3H3,(H,21,23).
What are the key properties of 2-(pyridine-3-carbonylamino)ethyl 2-(2,4,6-trimethylphenoxy)acetate?
2-(pyridine-3-carbonylamino)ethyl 2-(2,4,6-trimethylphenoxy)acetate has a molecular weight of 342.40 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridine-3-carbonylamino)ethyl 2-(2,4,6-trimethylphenoxy)acetate is sourced from PubChem (CID 2132796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).