2-(dimethylamino)ethyl 1,2-dihydropyridine-2-carboxylate

C10H16N2O2 — CID 18707366

IUPAC2-(dimethylamino)ethyl 1,2-dihydropyridine-2-carboxylate
SMILESCN(C)CCOC(=O)C1C=CC=CN1
InChIInChI=1S/C10H16N2O2/c1-12(2)7-8-14-10(13)9-5-3-4-6-11-9/h3-6,9,11H,7-8H2,1-2H3
InChIKeyDYOMKJDLOLSPEW-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.13
Rot. Bonds4

About 2-(dimethylamino)ethyl 1,2-dihydropyridine-2-carboxylate

2-(dimethylamino)ethyl 1,2-dihydropyridine-2-carboxylate (PubChem CID 18707366) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 1,2-dihydropyridine-2-carboxylate.

Molecular Properties

Compound Name2-(dimethylamino)ethyl 1,2-dihydropyridine-2-carboxylate
PubChem CID18707366
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name2-(dimethylamino)ethyl 1,2-dihydropyridine-2-carboxylate
SMILESCN(C)CCOC(=O)C1C=CC=CN1
InChIInChI=1S/C10H16N2O2/c1-12(2)7-8-14-10(13)9-5-3-4-6-11-9/h3-6,9,11H,7-8H2,1-2H3
InChIKeyDYOMKJDLOLSPEW-UHFFFAOYSA-N
XLogP0.13
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl 1,2-dihydropyridine-2-carboxylate?
The IUPAC name of 2-(dimethylamino)ethyl 1,2-dihydropyridine-2-carboxylate (CID 18707366) is 2-(dimethylamino)ethyl 1,2-dihydropyridine-2-carboxylate.
What is the SMILES notation for 2-(dimethylamino)ethyl 1,2-dihydropyridine-2-carboxylate?
The canonical SMILES for 2-(dimethylamino)ethyl 1,2-dihydropyridine-2-carboxylate is CN(C)CCOC(=O)C1C=CC=CN1.
What is the InChIKey of 2-(dimethylamino)ethyl 1,2-dihydropyridine-2-carboxylate?
The InChIKey is DYOMKJDLOLSPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-12(2)7-8-14-10(13)9-5-3-4-6-11-9/h3-6,9,11H,7-8H2,1-2H3.
What are the key properties of 2-(dimethylamino)ethyl 1,2-dihydropyridine-2-carboxylate?
2-(dimethylamino)ethyl 1,2-dihydropyridine-2-carboxylate has a molecular weight of 196.25 g/mol, XLogP of 0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl 1,2-dihydropyridine-2-carboxylate is sourced from PubChem (CID 18707366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).