methyl N-[3-(4-methyl-2-pyridinyl)-2-oxopropyl]carbamate

C11H14N2O3 — CID 158412826

IUPACmethyl N-[3-(4-methyl-2-pyridinyl)-2-oxopropyl]carbamate
SMILESCOC(=O)NCC(=O)Cc1cc(C)ccn1
InChIInChI=1S/C11H14N2O3/c1-8-3-4-12-9(5-8)6-10(14)7-13-11(15)16-2/h3-5H,6-7H2,1-2H3,(H,13,15)
InChIKeyGZNDQLXXZFOLPE-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.86
Rot. Bonds4

About methyl N-[3-(4-methyl-2-pyridinyl)-2-oxopropyl]carbamate

methyl N-[3-(4-methyl-2-pyridinyl)-2-oxopropyl]carbamate (PubChem CID 158412826) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is methyl N-[3-(4-methyl-2-pyridinyl)-2-oxopropyl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-(4-methyl-2-pyridinyl)-2-oxopropyl]carbamate
PubChem CID158412826
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Namemethyl N-[3-(4-methyl-2-pyridinyl)-2-oxopropyl]carbamate
SMILESCOC(=O)NCC(=O)Cc1cc(C)ccn1
InChIInChI=1S/C11H14N2O3/c1-8-3-4-12-9(5-8)6-10(14)7-13-11(15)16-2/h3-5H,6-7H2,1-2H3,(H,13,15)
InChIKeyGZNDQLXXZFOLPE-UHFFFAOYSA-N
XLogP0.86
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;methyl 2-(4-methyl-2-pyridinyl)acetate
CID 144506268
N-[(4-methyl-2-pyridinyl)methyl]acetamide
CID 121378939
(4-methyl-2-pyridinyl)methylcarbamic acid
CID 155229563
methyl (2S)-2-amino-3-(4-methyl-2-pyridinyl)propanoate
CID 155904663
butyl N-[(4-methyl-2-pyridinyl)methyl]carbamate
CID 155071735
N-[(4-methyl-2-pyridinyl)methyl]hydroxylamine
CID 82593929
2-amino-3-(4-methyl-2-pyridinyl)propanoic acid
CID 55267483
(2R)-2-amino-3-(4-methyl-2-pyridinyl)propanoic acid
CID 55293351
2-methoxy-N-(4-methyl-2-pyridinyl)acetamide
CID 23657944
methyl N-[[4-[(2,5-dimethylphenyl)carbamoyl]-2-pyridinyl]methyl]carbamate
CID 112520824
(4-methyl-2-pyridinyl)methanol;hydrobromide
CID 133055836
methyl 4-methylpyridine-2-carboxylate
CID 10920693

Frequently Asked Questions

What is the IUPAC name of methyl N-[3-(4-methyl-2-pyridinyl)-2-oxopropyl]carbamate?
The IUPAC name of methyl N-[3-(4-methyl-2-pyridinyl)-2-oxopropyl]carbamate (CID 158412826) is methyl N-[3-(4-methyl-2-pyridinyl)-2-oxopropyl]carbamate.
What is the SMILES notation for methyl N-[3-(4-methyl-2-pyridinyl)-2-oxopropyl]carbamate?
The canonical SMILES for methyl N-[3-(4-methyl-2-pyridinyl)-2-oxopropyl]carbamate is COC(=O)NCC(=O)Cc1cc(C)ccn1.
What is the InChIKey of methyl N-[3-(4-methyl-2-pyridinyl)-2-oxopropyl]carbamate?
The InChIKey is GZNDQLXXZFOLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-8-3-4-12-9(5-8)6-10(14)7-13-11(15)16-2/h3-5H,6-7H2,1-2H3,(H,13,15).
What are the key properties of methyl N-[3-(4-methyl-2-pyridinyl)-2-oxopropyl]carbamate?
methyl N-[3-(4-methyl-2-pyridinyl)-2-oxopropyl]carbamate has a molecular weight of 222.24 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-(4-methyl-2-pyridinyl)-2-oxopropyl]carbamate is sourced from PubChem (CID 158412826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).