[2-(benzylcarbamoylamino)-2-oxoethyl] pyridine-4-carboxylate

C16H15N3O4 — CID 2416693

IUPAC[2-(benzylcarbamoylamino)-2-oxoethyl] pyridine-4-carboxylate
SMILESO=C(COC(=O)c1ccncc1)NC(=O)NCc1ccccc1
InChIInChI=1S/C16H15N3O4/c20-14(11-23-15(21)13-6-8-17-9-7-13)19-16(22)18-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H2,18,19,20,22)
InChIKeyFRQBVAQGWRPXFE-UHFFFAOYSA-N
MW313.31 g/mol
LogP1.26
Rot. Bonds5

About [2-(benzylcarbamoylamino)-2-oxoethyl] pyridine-4-carboxylate

[2-(benzylcarbamoylamino)-2-oxoethyl] pyridine-4-carboxylate (PubChem CID 2416693) has the molecular formula C16H15N3O4 and a molecular weight of 313.31 g/mol. Its IUPAC name is [2-(benzylcarbamoylamino)-2-oxoethyl] pyridine-4-carboxylate.

Molecular Properties

Compound Name[2-(benzylcarbamoylamino)-2-oxoethyl] pyridine-4-carboxylate
PubChem CID2416693
Molecular FormulaC16H15N3O4
Molecular Weight313.31 g/mol
Exact Mass313.11
IUPAC Name[2-(benzylcarbamoylamino)-2-oxoethyl] pyridine-4-carboxylate
SMILESO=C(COC(=O)c1ccncc1)NC(=O)NCc1ccccc1
InChIInChI=1S/C16H15N3O4/c20-14(11-23-15(21)13-6-8-17-9-7-13)19-16(22)18-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H2,18,19,20,22)
InChIKeyFRQBVAQGWRPXFE-UHFFFAOYSA-N
XLogP1.26
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-(benzylcarbamoylamino)-2-oxoethyl] pyridine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 2389272
CID 2389272
CID 2416957
CID 2416957
CID 2418106
CID 2418106
CID 2452809
CID 2452809
CID 3951109
CID 3951109
CID 3957199
CID 3957199
CID 4782638
CID 4782638
CID 7477399
CID 7477399
CID 2174536
CID 2174536
CID 646182
CID 646182
CID 646374
CID 646374
CID 2118169
CID 2118169

Frequently Asked Questions

What is the IUPAC name of [2-(benzylcarbamoylamino)-2-oxoethyl] pyridine-4-carboxylate?
The IUPAC name of [2-(benzylcarbamoylamino)-2-oxoethyl] pyridine-4-carboxylate (CID 2416693) is [2-(benzylcarbamoylamino)-2-oxoethyl] pyridine-4-carboxylate.
What is the SMILES notation for [2-(benzylcarbamoylamino)-2-oxoethyl] pyridine-4-carboxylate?
The canonical SMILES for [2-(benzylcarbamoylamino)-2-oxoethyl] pyridine-4-carboxylate is O=C(COC(=O)c1ccncc1)NC(=O)NCc1ccccc1.
What is the InChIKey of [2-(benzylcarbamoylamino)-2-oxoethyl] pyridine-4-carboxylate?
The InChIKey is FRQBVAQGWRPXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4/c20-14(11-23-15(21)13-6-8-17-9-7-13)19-16(22)18-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H2,18,19,20,22).
What are the key properties of [2-(benzylcarbamoylamino)-2-oxoethyl] pyridine-4-carboxylate?
[2-(benzylcarbamoylamino)-2-oxoethyl] pyridine-4-carboxylate has a molecular weight of 313.31 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzylcarbamoylamino)-2-oxoethyl] pyridine-4-carboxylate is sourced from PubChem (CID 2416693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).