methyl N-(2-methyl-4-pyridinyl)carbamate

C8H10N2O2 — CID 110756833

IUPACmethyl N-(2-methyl-4-pyridinyl)carbamate
SMILESCOC(=O)Nc1ccnc(C)c1
InChIInChI=1S/C8H10N2O2/c1-6-5-7(3-4-9-6)10-8(11)12-2/h3-5H,1-2H3,(H,9,10,11)
InChIKeyXXMLDLXLORMSRV-UHFFFAOYSA-N
MW166.18 g/mol
LogP1.57
Rot. Bonds1

About methyl N-(2-methyl-4-pyridinyl)carbamate

methyl N-(2-methyl-4-pyridinyl)carbamate (PubChem CID 110756833) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is methyl N-(2-methyl-4-pyridinyl)carbamate.

Molecular Properties

Compound Namemethyl N-(2-methyl-4-pyridinyl)carbamate
PubChem CID110756833
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Namemethyl N-(2-methyl-4-pyridinyl)carbamate
SMILESCOC(=O)Nc1ccnc(C)c1
InChIInChI=1S/C8H10N2O2/c1-6-5-7(3-4-9-6)10-8(11)12-2/h3-5H,1-2H3,(H,9,10,11)
InChIKeyXXMLDLXLORMSRV-UHFFFAOYSA-N
XLogP1.57
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-(2-methyl-4-pyridinyl)prop-2-enamide
CID 174936648
(2R)-2-hydroxy-N-(2-methyl-4-pyridinyl)propanamide
CID 131207206
N-(2-methyl-4-pyridinyl)butanamide
CID 78910950
2-[2-[(2-methyl-4-pyridinyl)amino]-2-oxoethoxy]acetic acid
CID 79235104
2,5-dimethoxy-4-methyl-N-(2-methyl-4-pyridinyl)benzamide
CID 110763310
2-acetamido-N-(2-methyl-4-pyridinyl)acetamide
CID 110687090
1-(4-chlorophenyl)-3-(2-methyl-4-pyridinyl)urea
CID 110755160
2-(4-methoxyphenyl)-2-methyl-N-(2-methyl-4-pyridinyl)propanamide
CID 110439571
2-(2-methoxyphenyl)-N-(2-methyl-4-pyridinyl)acetamide
CID 110756856
2,5-dimethoxy-N-(2-methyl-4-pyridinyl)benzamide
CID 110761099
N-(2-methyl-4-pyridinyl)-2-phenoxyacetamide
CID 110756814
3-amino-2,2,3-trimethyl-N-(2-methyl-4-pyridinyl)butanamide
CID 79240943

Frequently Asked Questions

What is the IUPAC name of methyl N-(2-methyl-4-pyridinyl)carbamate?
The IUPAC name of methyl N-(2-methyl-4-pyridinyl)carbamate (CID 110756833) is methyl N-(2-methyl-4-pyridinyl)carbamate.
What is the SMILES notation for methyl N-(2-methyl-4-pyridinyl)carbamate?
The canonical SMILES for methyl N-(2-methyl-4-pyridinyl)carbamate is COC(=O)Nc1ccnc(C)c1.
What is the InChIKey of methyl N-(2-methyl-4-pyridinyl)carbamate?
The InChIKey is XXMLDLXLORMSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-6-5-7(3-4-9-6)10-8(11)12-2/h3-5H,1-2H3,(H,9,10,11).
What are the key properties of methyl N-(2-methyl-4-pyridinyl)carbamate?
methyl N-(2-methyl-4-pyridinyl)carbamate has a molecular weight of 166.18 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(2-methyl-4-pyridinyl)carbamate is sourced from PubChem (CID 110756833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).