4-[ethyl-(2-methylpyridine-4-carbonyl)amino]oxolane-3-carboxylic acid

C14H18N2O4 — CID 106752679

IUPAC4-[ethyl-(2-methylpyridine-4-carbonyl)amino]oxolane-3-carboxylic acid
SMILESCCN(C(=O)c1ccnc(C)c1)C1COCC1C(=O)O
InChIInChI=1S/C14H18N2O4/c1-3-16(12-8-20-7-11(12)14(18)19)13(17)10-4-5-15-9(2)6-10/h4-6,11-12H,3,7-8H2,1-2H3,(H,18,19)
InChIKeyMOVWIMCHKFGCNL-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.95
Rot. Bonds4

About 4-[ethyl-(2-methylpyridine-4-carbonyl)amino]oxolane-3-carboxylic acid

4-[ethyl-(2-methylpyridine-4-carbonyl)amino]oxolane-3-carboxylic acid (PubChem CID 106752679) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 4-[ethyl-(2-methylpyridine-4-carbonyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[ethyl-(2-methylpyridine-4-carbonyl)amino]oxolane-3-carboxylic acid
PubChem CID106752679
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name4-[ethyl-(2-methylpyridine-4-carbonyl)amino]oxolane-3-carboxylic acid
SMILESCCN(C(=O)c1ccnc(C)c1)C1COCC1C(=O)O
InChIInChI=1S/C14H18N2O4/c1-3-16(12-8-20-7-11(12)14(18)19)13(17)10-4-5-15-9(2)6-10/h4-6,11-12H,3,7-8H2,1-2H3,(H,18,19)
InChIKeyMOVWIMCHKFGCNL-UHFFFAOYSA-N
XLogP0.95
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[ethyl-(2-methylpyridine-4-carbonyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[ethyl-(2-methylpyridine-4-carbonyl)amino]oxolane-3-carboxylic acid (CID 106752679) is 4-[ethyl-(2-methylpyridine-4-carbonyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[ethyl-(2-methylpyridine-4-carbonyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[ethyl-(2-methylpyridine-4-carbonyl)amino]oxolane-3-carboxylic acid is CCN(C(=O)c1ccnc(C)c1)C1COCC1C(=O)O.
What is the InChIKey of 4-[ethyl-(2-methylpyridine-4-carbonyl)amino]oxolane-3-carboxylic acid?
The InChIKey is MOVWIMCHKFGCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-3-16(12-8-20-7-11(12)14(18)19)13(17)10-4-5-15-9(2)6-10/h4-6,11-12H,3,7-8H2,1-2H3,(H,18,19).
What are the key properties of 4-[ethyl-(2-methylpyridine-4-carbonyl)amino]oxolane-3-carboxylic acid?
4-[ethyl-(2-methylpyridine-4-carbonyl)amino]oxolane-3-carboxylic acid has a molecular weight of 278.31 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl-(2-methylpyridine-4-carbonyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 106752679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).