methyl 6-(phenylcarbamoyl)pyridine-2-carboxylate

C14H12N2O3 — CID 5174413

IUPACmethyl 6-(phenylcarbamoyl)pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(C(=O)Nc2ccccc2)n1
InChIInChI=1S/C14H12N2O3/c1-19-14(18)12-9-5-8-11(16-12)13(17)15-10-6-3-2-4-7-10/h2-9H,1H3,(H,15,17)
InChIKeyFRPKSWBFUUXCBO-UHFFFAOYSA-N
MW256.26 g/mol
LogP2.12
Rot. Bonds3

About methyl 6-(phenylcarbamoyl)pyridine-2-carboxylate

methyl 6-(phenylcarbamoyl)pyridine-2-carboxylate (PubChem CID 5174413) has the molecular formula C14H12N2O3 and a molecular weight of 256.26 g/mol. Its IUPAC name is methyl 6-(phenylcarbamoyl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(phenylcarbamoyl)pyridine-2-carboxylate
PubChem CID5174413
Molecular FormulaC14H12N2O3
Molecular Weight256.26 g/mol
Exact Mass256.08
IUPAC Namemethyl 6-(phenylcarbamoyl)pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(C(=O)Nc2ccccc2)n1
InChIInChI=1S/C14H12N2O3/c1-19-14(18)12-9-5-8-11(16-12)13(17)15-10-6-3-2-4-7-10/h2-9H,1H3,(H,15,17)
InChIKeyFRPKSWBFUUXCBO-UHFFFAOYSA-N
XLogP2.12
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 6-(phenylcarbamoyl)pyridine-2-carboxylate?
The IUPAC name of methyl 6-(phenylcarbamoyl)pyridine-2-carboxylate (CID 5174413) is methyl 6-(phenylcarbamoyl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-(phenylcarbamoyl)pyridine-2-carboxylate?
The canonical SMILES for methyl 6-(phenylcarbamoyl)pyridine-2-carboxylate is COC(=O)c1cccc(C(=O)Nc2ccccc2)n1.
What is the InChIKey of methyl 6-(phenylcarbamoyl)pyridine-2-carboxylate?
The InChIKey is FRPKSWBFUUXCBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3/c1-19-14(18)12-9-5-8-11(16-12)13(17)15-10-6-3-2-4-7-10/h2-9H,1H3,(H,15,17).
What are the key properties of methyl 6-(phenylcarbamoyl)pyridine-2-carboxylate?
methyl 6-(phenylcarbamoyl)pyridine-2-carboxylate has a molecular weight of 256.26 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(phenylcarbamoyl)pyridine-2-carboxylate is sourced from PubChem (CID 5174413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).