methyl [6-[methyl(phenyl)carbamoyl]-3-pyridinyl] carbonate

C15H14N2O4 — CID 23177300

IUPACmethyl [6-[methyl(phenyl)carbamoyl]-3-pyridinyl] carbonate
SMILESCOC(=O)Oc1ccc(C(=O)N(C)c2ccccc2)nc1
InChIInChI=1S/C15H14N2O4/c1-17(11-6-4-3-5-7-11)14(18)13-9-8-12(10-16-13)21-15(19)20-2/h3-10H,1-2H3
InChIKeyBOUOEVDWQWNDGG-UHFFFAOYSA-N
MW286.29 g/mol
LogP2.50
Rot. Bonds3

About methyl [6-[methyl(phenyl)carbamoyl]-3-pyridinyl] carbonate

methyl [6-[methyl(phenyl)carbamoyl]-3-pyridinyl] carbonate (PubChem CID 23177300) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is methyl [6-[methyl(phenyl)carbamoyl]-3-pyridinyl] carbonate.

Molecular Properties

Compound Namemethyl [6-[methyl(phenyl)carbamoyl]-3-pyridinyl] carbonate
PubChem CID23177300
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Namemethyl [6-[methyl(phenyl)carbamoyl]-3-pyridinyl] carbonate
SMILESCOC(=O)Oc1ccc(C(=O)N(C)c2ccccc2)nc1
InChIInChI=1S/C15H14N2O4/c1-17(11-6-4-3-5-7-11)14(18)13-9-8-12(10-16-13)21-15(19)20-2/h3-10H,1-2H3
InChIKeyBOUOEVDWQWNDGG-UHFFFAOYSA-N
XLogP2.50
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl [6-[methyl(phenyl)carbamoyl]-3-pyridinyl] carbonate?
The IUPAC name of methyl [6-[methyl(phenyl)carbamoyl]-3-pyridinyl] carbonate (CID 23177300) is methyl [6-[methyl(phenyl)carbamoyl]-3-pyridinyl] carbonate.
What is the SMILES notation for methyl [6-[methyl(phenyl)carbamoyl]-3-pyridinyl] carbonate?
The canonical SMILES for methyl [6-[methyl(phenyl)carbamoyl]-3-pyridinyl] carbonate is COC(=O)Oc1ccc(C(=O)N(C)c2ccccc2)nc1.
What is the InChIKey of methyl [6-[methyl(phenyl)carbamoyl]-3-pyridinyl] carbonate?
The InChIKey is BOUOEVDWQWNDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-17(11-6-4-3-5-7-11)14(18)13-9-8-12(10-16-13)21-15(19)20-2/h3-10H,1-2H3.
What are the key properties of methyl [6-[methyl(phenyl)carbamoyl]-3-pyridinyl] carbonate?
methyl [6-[methyl(phenyl)carbamoyl]-3-pyridinyl] carbonate has a molecular weight of 286.29 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl [6-[methyl(phenyl)carbamoyl]-3-pyridinyl] carbonate is sourced from PubChem (CID 23177300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).