(2-benzamido-2-oxoethyl) pyridine-3-carboxylate

C15H12N2O4 — CID 9413804

IUPAC(2-benzamido-2-oxoethyl) pyridine-3-carboxylate
SMILESO=C(COC(=O)c1cccnc1)NC(=O)c1ccccc1
InChIInChI=1S/C15H12N2O4/c18-13(17-14(19)11-5-2-1-3-6-11)10-21-15(20)12-7-4-8-16-9-12/h1-9H,10H2,(H,17,18,19)
InChIKeyGQNQIBQHMFQMAC-UHFFFAOYSA-N
MW284.27 g/mol
LogP1.20
Rot. Bonds4

About (2-benzamido-2-oxoethyl) pyridine-3-carboxylate

(2-benzamido-2-oxoethyl) pyridine-3-carboxylate (PubChem CID 9413804) has the molecular formula C15H12N2O4 and a molecular weight of 284.27 g/mol. Its IUPAC name is (2-benzamido-2-oxoethyl) pyridine-3-carboxylate.

Molecular Properties

Compound Name(2-benzamido-2-oxoethyl) pyridine-3-carboxylate
PubChem CID9413804
Molecular FormulaC15H12N2O4
Molecular Weight284.27 g/mol
Exact Mass284.08
IUPAC Name(2-benzamido-2-oxoethyl) pyridine-3-carboxylate
SMILESO=C(COC(=O)c1cccnc1)NC(=O)c1ccccc1
InChIInChI=1S/C15H12N2O4/c18-13(17-14(19)11-5-2-1-3-6-11)10-21-15(20)12-7-4-8-16-9-12/h1-9H,10H2,(H,17,18,19)
InChIKeyGQNQIBQHMFQMAC-UHFFFAOYSA-N
XLogP1.20
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-benzamido-2-oxoethyl) quinoxaline-6-carboxylate
CID 7676886
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] pyridine-3-carboxylate
CID 9413621
2-oxopropyl pyridine-3-carboxylate
CID 69192363
(2-benzamido-2-oxoethyl) furan-2-carboxylate
CID 7486704
(2-benzamido-2-oxoethyl) 2-chlorobenzoate
CID 2624247
[2-(4-methoxycarbonylanilino)-2-oxoethyl] pyridine-3-carboxylate
CID 1088627
(2-benzamido-2-oxoethyl) 5-methylpyrazine-2-carboxylate
CID 7950061
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] pyridine-3-carboxylate
CID 9413781
(2-benzamido-2-oxoethyl) 2-ethoxypyridine-3-carboxylate
CID 7998156
[2-oxo-2-(2-propan-2-ylanilino)ethyl] pyridine-3-carboxylate
CID 1088668
(2-benzamido-2-oxoethyl) 4-(methoxymethyl)benzoate
CID 7488796
(2-benzamido-2-oxoethyl) 4-phenylmethoxybenzoate
CID 7264153

Frequently Asked Questions

What is the IUPAC name of (2-benzamido-2-oxoethyl) pyridine-3-carboxylate?
The IUPAC name of (2-benzamido-2-oxoethyl) pyridine-3-carboxylate (CID 9413804) is (2-benzamido-2-oxoethyl) pyridine-3-carboxylate.
What is the SMILES notation for (2-benzamido-2-oxoethyl) pyridine-3-carboxylate?
The canonical SMILES for (2-benzamido-2-oxoethyl) pyridine-3-carboxylate is O=C(COC(=O)c1cccnc1)NC(=O)c1ccccc1.
What is the InChIKey of (2-benzamido-2-oxoethyl) pyridine-3-carboxylate?
The InChIKey is GQNQIBQHMFQMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O4/c18-13(17-14(19)11-5-2-1-3-6-11)10-21-15(20)12-7-4-8-16-9-12/h1-9H,10H2,(H,17,18,19).
What are the key properties of (2-benzamido-2-oxoethyl) pyridine-3-carboxylate?
(2-benzamido-2-oxoethyl) pyridine-3-carboxylate has a molecular weight of 284.27 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzamido-2-oxoethyl) pyridine-3-carboxylate is sourced from PubChem (CID 9413804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).