2-acetamidoethyl pyridine-2-carboxylate

C10H12N2O3 — CID 141131382

IUPAC2-acetamidoethyl pyridine-2-carboxylate
SMILESCC(=O)NCCOC(=O)c1ccccn1
InChIInChI=1S/C10H12N2O3/c1-8(13)11-6-7-15-10(14)9-4-2-3-5-12-9/h2-5H,6-7H2,1H3,(H,11,13)
InChIKeyIBUHZOOKMMFFLQ-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.37
Rot. Bonds4

About 2-acetamidoethyl pyridine-2-carboxylate

2-acetamidoethyl pyridine-2-carboxylate (PubChem CID 141131382) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 2-acetamidoethyl pyridine-2-carboxylate.

Molecular Properties

Compound Name2-acetamidoethyl pyridine-2-carboxylate
PubChem CID141131382
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name2-acetamidoethyl pyridine-2-carboxylate
SMILESCC(=O)NCCOC(=O)c1ccccn1
InChIInChI=1S/C10H12N2O3/c1-8(13)11-6-7-15-10(14)9-4-2-3-5-12-9/h2-5H,6-7H2,1H3,(H,11,13)
InChIKeyIBUHZOOKMMFFLQ-UHFFFAOYSA-N
XLogP0.37
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.37
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

2-(methylamino)ethyl pyridine-2-carboxylate
CID 23103066
2-trimethoxysilylethyl pyridine-2-carboxylate
CID 68835998
ethyl pyridine-2-carboxylate
CID 17307
2-(pyridazin-3-ylamino)ethyl pyridine-2-carboxylate
CID 71973059
3-triethoxysilylpropyl pyridine-2-carboxylate
CID 68836141
(2-hydroxyethylamino)methyl pyridine-2-carboxylate
CID 142799656
3-dimethoxysilylbutyl pyridine-2-carboxylate
CID 154185304
propan-2-one;1-pyridin-2-ylethanone
CID 158043833
1-pyridin-2-ylethanone;dihydrochloride
CID 174550471
molecular iodine;1-pyridin-2-ylethanone
CID 169427217
2-acetamidoethyl 2-phenylacetate
CID 139889118
2-[[1-(2,3-dimethylphenyl)-2-(3-methylphenyl)ethyl]carbamothioylamino]ethyl pyridine-2-carboxylate
CID 46220544

Frequently Asked Questions

What is the IUPAC name of 2-acetamidoethyl pyridine-2-carboxylate?
The IUPAC name of 2-acetamidoethyl pyridine-2-carboxylate (CID 141131382) is 2-acetamidoethyl pyridine-2-carboxylate.
What is the SMILES notation for 2-acetamidoethyl pyridine-2-carboxylate?
The canonical SMILES for 2-acetamidoethyl pyridine-2-carboxylate is CC(=O)NCCOC(=O)c1ccccn1.
What is the InChIKey of 2-acetamidoethyl pyridine-2-carboxylate?
The InChIKey is IBUHZOOKMMFFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-8(13)11-6-7-15-10(14)9-4-2-3-5-12-9/h2-5H,6-7H2,1H3,(H,11,13).
What are the key properties of 2-acetamidoethyl pyridine-2-carboxylate?
2-acetamidoethyl pyridine-2-carboxylate has a molecular weight of 208.22 g/mol, XLogP of 0.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamidoethyl pyridine-2-carboxylate is sourced from PubChem (CID 141131382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).