4-[(4-carbamoyl-6-methyl-2-pyridinyl)-ethylamino]oxolane-3-carboxylic acid

C14H19N3O4 — CID 114765479

IUPAC4-[(4-carbamoyl-6-methyl-2-pyridinyl)-ethylamino]oxolane-3-carboxylic acid
SMILESCCN(c1cc(C(N)=O)cc(C)n1)C1COCC1C(=O)O
InChIInChI=1S/C14H19N3O4/c1-3-17(11-7-21-6-10(11)14(19)20)12-5-9(13(15)18)4-8(2)16-12/h4-5,10-11H,3,6-7H2,1-2H3,(H2,15,18)(H,19,20)
InChIKeyWGHDAFWVQACBQJ-UHFFFAOYSA-N
MW293.32 g/mol
LogP0.41
Rot. Bonds5

About 4-[(4-carbamoyl-6-methyl-2-pyridinyl)-ethylamino]oxolane-3-carboxylic acid

4-[(4-carbamoyl-6-methyl-2-pyridinyl)-ethylamino]oxolane-3-carboxylic acid (PubChem CID 114765479) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 4-[(4-carbamoyl-6-methyl-2-pyridinyl)-ethylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(4-carbamoyl-6-methyl-2-pyridinyl)-ethylamino]oxolane-3-carboxylic acid
PubChem CID114765479
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name4-[(4-carbamoyl-6-methyl-2-pyridinyl)-ethylamino]oxolane-3-carboxylic acid
SMILESCCN(c1cc(C(N)=O)cc(C)n1)C1COCC1C(=O)O
InChIInChI=1S/C14H19N3O4/c1-3-17(11-7-21-6-10(11)14(19)20)12-5-9(13(15)18)4-8(2)16-12/h4-5,10-11H,3,6-7H2,1-2H3,(H2,15,18)(H,19,20)
InChIKeyWGHDAFWVQACBQJ-UHFFFAOYSA-N
XLogP0.41
TPSA105.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[ethyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]oxolane-3-carboxylic acid
CID 66245857
4-[[2-(dimethylamino)pyrimidin-4-yl]-ethylamino]oxolane-3-carboxylic acid
CID 66246649
4-[(4-cyano-6-methylpyrimidin-2-yl)-ethylamino]oxolane-3-carboxylic acid
CID 107543056
4-[(6-chloropyridazin-3-yl)-ethylamino]oxolane-3-carboxylic acid
CID 66247052
4-[(3-cyano-2,6-dimethyl-4-pyridinyl)-ethylamino]oxolane-3-carboxylic acid
CID 81060905
4-[(5-carbamoyl-2-pyridinyl)-propylamino]oxolane-3-carboxylic acid
CID 66253038
4-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)-propylamino]oxolane-3-carboxylic acid
CID 136959182
4-[ethyl-(2-methylpyridine-4-carbonyl)amino]oxolane-3-carboxylic acid
CID 106752679
4-[ethyl-(5-nitropyrimidin-2-yl)amino]oxolane-3-carboxylic acid
CID 66245466
4-[ethyl-(5-methylpyridine-3-carbonyl)amino]oxolane-3-carboxylic acid
CID 66245826
4-[(3-ethyl-6-methylpyridazine-4-carbonyl)-methylamino]oxolane-3-carboxylic acid
CID 104669777
4-[(5-carbamoyl-2-fluorophenyl)methyl-methylamino]oxolane-3-carboxylic acid
CID 66236839

Frequently Asked Questions

What is the IUPAC name of 4-[(4-carbamoyl-6-methyl-2-pyridinyl)-ethylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[(4-carbamoyl-6-methyl-2-pyridinyl)-ethylamino]oxolane-3-carboxylic acid (CID 114765479) is 4-[(4-carbamoyl-6-methyl-2-pyridinyl)-ethylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(4-carbamoyl-6-methyl-2-pyridinyl)-ethylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[(4-carbamoyl-6-methyl-2-pyridinyl)-ethylamino]oxolane-3-carboxylic acid is CCN(c1cc(C(N)=O)cc(C)n1)C1COCC1C(=O)O.
What is the InChIKey of 4-[(4-carbamoyl-6-methyl-2-pyridinyl)-ethylamino]oxolane-3-carboxylic acid?
The InChIKey is WGHDAFWVQACBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-3-17(11-7-21-6-10(11)14(19)20)12-5-9(13(15)18)4-8(2)16-12/h4-5,10-11H,3,6-7H2,1-2H3,(H2,15,18)(H,19,20).
What are the key properties of 4-[(4-carbamoyl-6-methyl-2-pyridinyl)-ethylamino]oxolane-3-carboxylic acid?
4-[(4-carbamoyl-6-methyl-2-pyridinyl)-ethylamino]oxolane-3-carboxylic acid has a molecular weight of 293.32 g/mol, XLogP of 0.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-carbamoyl-6-methyl-2-pyridinyl)-ethylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 114765479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).