ethyl benzoate;pyridine-3-carboxamide

C15H16N2O3 — CID 175250777

IUPACethyl benzoate;pyridine-3-carboxamide
SMILESCCOC(=O)c1ccccc1.NC(=O)c1cccnc1
InChIInChI=1S/C9H10O2.C6H6N2O/c1-2-11-9(10)8-6-4-3-5-7-8;7-6(9)5-2-1-3-8-4-5/h3-7H,2H2,1H3;1-4H,(H2,7,9)
InChIKeyKRDBCEBILUYGMF-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.04
Rot. Bonds3

About ethyl benzoate;pyridine-3-carboxamide

ethyl benzoate;pyridine-3-carboxamide (PubChem CID 175250777) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is ethyl benzoate;pyridine-3-carboxamide.

Molecular Properties

Compound Nameethyl benzoate;pyridine-3-carboxamide
PubChem CID175250777
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Nameethyl benzoate;pyridine-3-carboxamide
SMILESCCOC(=O)c1ccccc1.NC(=O)c1cccnc1
InChIInChI=1S/C9H10O2.C6H6N2O/c1-2-11-9(10)8-6-4-3-5-7-8;7-6(9)5-2-1-3-8-4-5/h3-7H,2H2,1H3;1-4H,(H2,7,9)
InChIKeyKRDBCEBILUYGMF-UHFFFAOYSA-N
XLogP2.04
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl benzoate;pyridine-3-carboxamide?
The IUPAC name of ethyl benzoate;pyridine-3-carboxamide (CID 175250777) is ethyl benzoate;pyridine-3-carboxamide.
What is the SMILES notation for ethyl benzoate;pyridine-3-carboxamide?
The canonical SMILES for ethyl benzoate;pyridine-3-carboxamide is CCOC(=O)c1ccccc1.NC(=O)c1cccnc1.
What is the InChIKey of ethyl benzoate;pyridine-3-carboxamide?
The InChIKey is KRDBCEBILUYGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2.C6H6N2O/c1-2-11-9(10)8-6-4-3-5-7-8;7-6(9)5-2-1-3-8-4-5/h3-7H,2H2,1H3;1-4H,(H2,7,9).
What are the key properties of ethyl benzoate;pyridine-3-carboxamide?
ethyl benzoate;pyridine-3-carboxamide has a molecular weight of 272.30 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl benzoate;pyridine-3-carboxamide is sourced from PubChem (CID 175250777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).