methyl-(1-methyl-6-oxo-3-pyridinyl)carbamic acid

C8H10N2O3 — CID 89156397

IUPACmethyl-(1-methyl-6-oxo-3-pyridinyl)carbamic acid
SMILESCN(C(=O)O)c1ccc(=O)n(C)c1
InChIInChI=1S/C8H10N2O3/c1-9-5-6(3-4-7(9)11)10(2)8(12)13/h3-5H,1-2H3,(H,12,13)
InChIKeyPREAMEMQXCNDTP-UHFFFAOYSA-N
MW182.18 g/mol
LogP0.50
Rot. Bonds1

About methyl-(1-methyl-6-oxo-3-pyridinyl)carbamic acid

methyl-(1-methyl-6-oxo-3-pyridinyl)carbamic acid (PubChem CID 89156397) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is methyl-(1-methyl-6-oxo-3-pyridinyl)carbamic acid.

Molecular Properties

Compound Namemethyl-(1-methyl-6-oxo-3-pyridinyl)carbamic acid
PubChem CID89156397
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Namemethyl-(1-methyl-6-oxo-3-pyridinyl)carbamic acid
SMILESCN(C(=O)O)c1ccc(=O)n(C)c1
InChIInChI=1S/C8H10N2O3/c1-9-5-6(3-4-7(9)11)10(2)8(12)13/h3-5H,1-2H3,(H,12,13)
InChIKeyPREAMEMQXCNDTP-UHFFFAOYSA-N
XLogP0.50
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl-(1-methyl-6-oxo-3-pyridinyl)carbamic acid?
The IUPAC name of methyl-(1-methyl-6-oxo-3-pyridinyl)carbamic acid (CID 89156397) is methyl-(1-methyl-6-oxo-3-pyridinyl)carbamic acid.
What is the SMILES notation for methyl-(1-methyl-6-oxo-3-pyridinyl)carbamic acid?
The canonical SMILES for methyl-(1-methyl-6-oxo-3-pyridinyl)carbamic acid is CN(C(=O)O)c1ccc(=O)n(C)c1.
What is the InChIKey of methyl-(1-methyl-6-oxo-3-pyridinyl)carbamic acid?
The InChIKey is PREAMEMQXCNDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-9-5-6(3-4-7(9)11)10(2)8(12)13/h3-5H,1-2H3,(H,12,13).
What are the key properties of methyl-(1-methyl-6-oxo-3-pyridinyl)carbamic acid?
methyl-(1-methyl-6-oxo-3-pyridinyl)carbamic acid has a molecular weight of 182.18 g/mol, XLogP of 0.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-(1-methyl-6-oxo-3-pyridinyl)carbamic acid is sourced from PubChem (CID 89156397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).