ethyl 5-benzamidopyridine-3-carboxylate

C15H14N2O3 — CID 657658

IUPACethyl 5-benzamidopyridine-3-carboxylate
SMILESCCOC(=O)c1cncc(NC(=O)c2ccccc2)c1
InChIInChI=1S/C15H14N2O3/c1-2-20-15(19)12-8-13(10-16-9-12)17-14(18)11-6-4-3-5-7-11/h3-10H,2H2,1H3,(H,17,18)
InChIKeyMMUNFMWSFAMFRW-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.51
Rot. Bonds4

About ethyl 5-benzamidopyridine-3-carboxylate

ethyl 5-benzamidopyridine-3-carboxylate (PubChem CID 657658) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is ethyl 5-benzamidopyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-benzamidopyridine-3-carboxylate
PubChem CID657658
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Nameethyl 5-benzamidopyridine-3-carboxylate
SMILESCCOC(=O)c1cncc(NC(=O)c2ccccc2)c1
InChIInChI=1S/C15H14N2O3/c1-2-20-15(19)12-8-13(10-16-9-12)17-14(18)11-6-4-3-5-7-11/h3-10H,2H2,1H3,(H,17,18)
InChIKeyMMUNFMWSFAMFRW-UHFFFAOYSA-N
XLogP2.51
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-benzamidopyridine-3-carboxylate?
The IUPAC name of ethyl 5-benzamidopyridine-3-carboxylate (CID 657658) is ethyl 5-benzamidopyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-benzamidopyridine-3-carboxylate?
The canonical SMILES for ethyl 5-benzamidopyridine-3-carboxylate is CCOC(=O)c1cncc(NC(=O)c2ccccc2)c1.
What is the InChIKey of ethyl 5-benzamidopyridine-3-carboxylate?
The InChIKey is MMUNFMWSFAMFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-2-20-15(19)12-8-13(10-16-9-12)17-14(18)11-6-4-3-5-7-11/h3-10H,2H2,1H3,(H,17,18).
What are the key properties of ethyl 5-benzamidopyridine-3-carboxylate?
ethyl 5-benzamidopyridine-3-carboxylate has a molecular weight of 270.29 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-benzamidopyridine-3-carboxylate is sourced from PubChem (CID 657658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).