2-benzamidoethyl pyridine-4-carboxylate

C15H14N2O3 — CID 2174536

IUPAC2-benzamidoethyl pyridine-4-carboxylate
SMILESO=C(NCCOC(=O)c1ccncc1)c1ccccc1
InChIInChI=1S/C15H14N2O3/c18-14(12-4-2-1-3-5-12)17-10-11-20-15(19)13-6-8-16-9-7-13/h1-9H,10-11H2,(H,17,18)
InChIKeyGJJCSIFCRQOVFH-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.67
Rot. Bonds5

About 2-benzamidoethyl pyridine-4-carboxylate

2-benzamidoethyl pyridine-4-carboxylate (PubChem CID 2174536) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 2-benzamidoethyl pyridine-4-carboxylate.

Molecular Properties

Compound Name2-benzamidoethyl pyridine-4-carboxylate
PubChem CID2174536
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name2-benzamidoethyl pyridine-4-carboxylate
SMILESO=C(NCCOC(=O)c1ccncc1)c1ccccc1
InChIInChI=1S/C15H14N2O3/c18-14(12-4-2-1-3-5-12)17-10-11-20-15(19)13-6-8-16-9-7-13/h1-9H,10-11H2,(H,17,18)
InChIKeyGJJCSIFCRQOVFH-UHFFFAOYSA-N
XLogP1.67
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.67
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-benzamidoethyl thiophene-3-carboxylate
CID 71987556
2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]ethyl pyridine-4-carboxylate
CID 2632805
3-(pyridine-4-carbonylamino)propyl hydrogen carbonate
CID 130453907
2-(pyridine-4-carbonylamino)ethyl 1H-indole-7-carboxylate
CID 71869452
2-(pyridine-4-carbonylamino)ethyl 3-methyl-5-phenylpentanoate
CID 86868821
N-(2-trimethylsilyloxyethyl)pyridine-4-carboxamide
CID 11064466
2-benzamidoethyl pyrazolo[1,5-a]pyrazine-3-carboxylate
CID 99793891
N-(4-aminooxybutyl)pyridine-4-carboxamide
CID 139932357
2-(tert-butylamino)ethyl pyridine-4-carboxylate
CID 130375151
2-(methylamino)ethyl benzoate
CID 158644589
2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl benzoate
CID 67590944
2-(pyridine-4-carbonylamino)ethyl 4-bromo-2-(trifluoromethyl)benzoate
CID 75450742

Frequently Asked Questions

What is the IUPAC name of 2-benzamidoethyl pyridine-4-carboxylate?
The IUPAC name of 2-benzamidoethyl pyridine-4-carboxylate (CID 2174536) is 2-benzamidoethyl pyridine-4-carboxylate.
What is the SMILES notation for 2-benzamidoethyl pyridine-4-carboxylate?
The canonical SMILES for 2-benzamidoethyl pyridine-4-carboxylate is O=C(NCCOC(=O)c1ccncc1)c1ccccc1.
What is the InChIKey of 2-benzamidoethyl pyridine-4-carboxylate?
The InChIKey is GJJCSIFCRQOVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c18-14(12-4-2-1-3-5-12)17-10-11-20-15(19)13-6-8-16-9-7-13/h1-9H,10-11H2,(H,17,18).
What are the key properties of 2-benzamidoethyl pyridine-4-carboxylate?
2-benzamidoethyl pyridine-4-carboxylate has a molecular weight of 270.29 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzamidoethyl pyridine-4-carboxylate is sourced from PubChem (CID 2174536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).