methyl 6-[(4-methylphenyl)carbamoyl]pyridine-2-carboxylate

C15H14N2O3 — CID 3243117

IUPACmethyl 6-[(4-methylphenyl)carbamoyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(C(=O)Nc2ccc(C)cc2)n1
InChIInChI=1S/C15H14N2O3/c1-10-6-8-11(9-7-10)16-14(18)12-4-3-5-13(17-12)15(19)20-2/h3-9H,1-2H3,(H,16,18)
InChIKeyVNUJYBRCPGQULU-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.43
Rot. Bonds3

About methyl 6-[(4-methylphenyl)carbamoyl]pyridine-2-carboxylate

methyl 6-[(4-methylphenyl)carbamoyl]pyridine-2-carboxylate (PubChem CID 3243117) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is methyl 6-[(4-methylphenyl)carbamoyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(4-methylphenyl)carbamoyl]pyridine-2-carboxylate
PubChem CID3243117
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Namemethyl 6-[(4-methylphenyl)carbamoyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(C(=O)Nc2ccc(C)cc2)n1
InChIInChI=1S/C15H14N2O3/c1-10-6-8-11(9-7-10)16-14(18)12-4-3-5-13(17-12)15(19)20-2/h3-9H,1-2H3,(H,16,18)
InChIKeyVNUJYBRCPGQULU-UHFFFAOYSA-N
XLogP2.43
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[(4-methylphenyl)carbamoyl]pyridine-2-carboxylate?
The IUPAC name of methyl 6-[(4-methylphenyl)carbamoyl]pyridine-2-carboxylate (CID 3243117) is methyl 6-[(4-methylphenyl)carbamoyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-[(4-methylphenyl)carbamoyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 6-[(4-methylphenyl)carbamoyl]pyridine-2-carboxylate is COC(=O)c1cccc(C(=O)Nc2ccc(C)cc2)n1.
What is the InChIKey of methyl 6-[(4-methylphenyl)carbamoyl]pyridine-2-carboxylate?
The InChIKey is VNUJYBRCPGQULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-10-6-8-11(9-7-10)16-14(18)12-4-3-5-13(17-12)15(19)20-2/h3-9H,1-2H3,(H,16,18).
What are the key properties of methyl 6-[(4-methylphenyl)carbamoyl]pyridine-2-carboxylate?
methyl 6-[(4-methylphenyl)carbamoyl]pyridine-2-carboxylate has a molecular weight of 270.29 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(4-methylphenyl)carbamoyl]pyridine-2-carboxylate is sourced from PubChem (CID 3243117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).