(1,2-dimethyl-4-oxo-3-pyridinyl) N,N-diethylcarbamate

C12H18N2O3 — CID 19862605

IUPAC(1,2-dimethyl-4-oxo-3-pyridinyl) N,N-diethylcarbamate
SMILESCCN(CC)C(=O)Oc1c(C)n(C)ccc1=O
InChIInChI=1S/C12H18N2O3/c1-5-14(6-2)12(16)17-11-9(3)13(4)8-7-10(11)15/h7-8H,5-6H2,1-4H3
InChIKeyQZLVPTJFDWNINI-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.53
Rot. Bonds3

About (1,2-dimethyl-4-oxo-3-pyridinyl) N,N-diethylcarbamate

(1,2-dimethyl-4-oxo-3-pyridinyl) N,N-diethylcarbamate (PubChem CID 19862605) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is (1,2-dimethyl-4-oxo-3-pyridinyl) N,N-diethylcarbamate.

Molecular Properties

Compound Name(1,2-dimethyl-4-oxo-3-pyridinyl) N,N-diethylcarbamate
PubChem CID19862605
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name(1,2-dimethyl-4-oxo-3-pyridinyl) N,N-diethylcarbamate
SMILESCCN(CC)C(=O)Oc1c(C)n(C)ccc1=O
InChIInChI=1S/C12H18N2O3/c1-5-14(6-2)12(16)17-11-9(3)13(4)8-7-10(11)15/h7-8H,5-6H2,1-4H3
InChIKeyQZLVPTJFDWNINI-UHFFFAOYSA-N
XLogP1.53
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methyl-4-oxo-1H-pyridin-3-yl) N-methylcarbamate
CID 324000
[1-(2-methoxyethyl)-2-methyl-4-oxo-3-pyridinyl] N,N-diethylcarbamate
CID 19862604
[1-(2-ethoxyethyl)-2-methyl-4-oxo-3-pyridinyl] N,N-diethylcarbamate
CID 19862608
Ethyl 5-methoxy-2-methyl-4-oxopyridine-1-carboxylate
CID 5314144
1-Ethyl-3-methoxy-2-methylpyridin-4-one
CID 85686823
(1-ethyl-2-methyl-4-oxo-3-pyridinyl) N-methylcarbamate
CID 134096695

Frequently Asked Questions

What is the IUPAC name of (1,2-dimethyl-4-oxo-3-pyridinyl) N,N-diethylcarbamate?
The IUPAC name of (1,2-dimethyl-4-oxo-3-pyridinyl) N,N-diethylcarbamate (CID 19862605) is (1,2-dimethyl-4-oxo-3-pyridinyl) N,N-diethylcarbamate.
What is the SMILES notation for (1,2-dimethyl-4-oxo-3-pyridinyl) N,N-diethylcarbamate?
The canonical SMILES for (1,2-dimethyl-4-oxo-3-pyridinyl) N,N-diethylcarbamate is CCN(CC)C(=O)Oc1c(C)n(C)ccc1=O.
What is the InChIKey of (1,2-dimethyl-4-oxo-3-pyridinyl) N,N-diethylcarbamate?
The InChIKey is QZLVPTJFDWNINI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-5-14(6-2)12(16)17-11-9(3)13(4)8-7-10(11)15/h7-8H,5-6H2,1-4H3.
What are the key properties of (1,2-dimethyl-4-oxo-3-pyridinyl) N,N-diethylcarbamate?
(1,2-dimethyl-4-oxo-3-pyridinyl) N,N-diethylcarbamate has a molecular weight of 238.29 g/mol, XLogP of 1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2-dimethyl-4-oxo-3-pyridinyl) N,N-diethylcarbamate is sourced from PubChem (CID 19862605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).