methyl-(2-methyl-3-pyridinyl)carbamic acid

C8H10N2O2 — CID 54053893

IUPACmethyl-(2-methyl-3-pyridinyl)carbamic acid
SMILESCc1ncccc1N(C)C(=O)O
InChIInChI=1S/C8H10N2O2/c1-6-7(4-3-5-9-6)10(2)8(11)12/h3-5H,1-2H3,(H,11,12)
InChIKeyLUWFPVCODJAZQC-UHFFFAOYSA-N
MW166.18 g/mol
LogP1.50
Rot. Bonds1

About methyl-(2-methyl-3-pyridinyl)carbamic acid

methyl-(2-methyl-3-pyridinyl)carbamic acid (PubChem CID 54053893) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is methyl-(2-methyl-3-pyridinyl)carbamic acid.

Molecular Properties

Compound Namemethyl-(2-methyl-3-pyridinyl)carbamic acid
PubChem CID54053893
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Namemethyl-(2-methyl-3-pyridinyl)carbamic acid
SMILESCc1ncccc1N(C)C(=O)O
InChIInChI=1S/C8H10N2O2/c1-6-7(4-3-5-9-6)10(2)8(11)12/h3-5H,1-2H3,(H,11,12)
InChIKeyLUWFPVCODJAZQC-UHFFFAOYSA-N
XLogP1.50
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-bis(2-methyl-3-pyridinyl)acetamide
CID 123651187
2-[carboxy(methyl)amino]pyridine-3-carboxylic acid
CID 67307021
2-[carboxy(methyl)amino]benzoic acid
CID 54515351
2-methylpyridine-3-carboxylic acid;hydroiodide
CID 70394156
N,2,3-trimethyl-N-phenylpyridine-4-carboxamide
CID 110856944
2,3-dihydroxy-3-(2-methyl-3-pyridinyl)propanoic acid
CID 170823469
acetic acid;3-fluoro-2-methylpyridine
CID 175599570
hexane;methyl-(2-methylphenyl)carbamic acid
CID 174980979
1-(2-chloro-3-pyridinyl)-1-methylurea
CID 87395071
[2-(hydroxymethyl)phenyl]-methylcarbamic acid
CID 18370050
(2-tert-butylphenyl)-methylcarbamic acid
CID 142882517
methyl-(2-methylsulfonyloxyphenyl)carbamic acid
CID 154249562

Frequently Asked Questions

What is the IUPAC name of methyl-(2-methyl-3-pyridinyl)carbamic acid?
The IUPAC name of methyl-(2-methyl-3-pyridinyl)carbamic acid (CID 54053893) is methyl-(2-methyl-3-pyridinyl)carbamic acid.
What is the SMILES notation for methyl-(2-methyl-3-pyridinyl)carbamic acid?
The canonical SMILES for methyl-(2-methyl-3-pyridinyl)carbamic acid is Cc1ncccc1N(C)C(=O)O.
What is the InChIKey of methyl-(2-methyl-3-pyridinyl)carbamic acid?
The InChIKey is LUWFPVCODJAZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-6-7(4-3-5-9-6)10(2)8(11)12/h3-5H,1-2H3,(H,11,12).
What are the key properties of methyl-(2-methyl-3-pyridinyl)carbamic acid?
methyl-(2-methyl-3-pyridinyl)carbamic acid has a molecular weight of 166.18 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-(2-methyl-3-pyridinyl)carbamic acid is sourced from PubChem (CID 54053893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).