4-[(5-carbamoyl-2-pyridinyl)-propylamino]oxolane-3-carboxylic acid

C14H19N3O4 — CID 66253038

IUPAC4-[(5-carbamoyl-2-pyridinyl)-propylamino]oxolane-3-carboxylic acid
SMILESCCCN(c1ccc(C(N)=O)cn1)C1COCC1C(=O)O
InChIInChI=1S/C14H19N3O4/c1-2-5-17(11-8-21-7-10(11)14(19)20)12-4-3-9(6-16-12)13(15)18/h3-4,6,10-11H,2,5,7-8H2,1H3,(H2,15,18)(H,19,20)
InChIKeyOVOLOYLXYWOAOK-UHFFFAOYSA-N
MW293.32 g/mol
LogP0.50
Rot. Bonds6

About 4-[(5-carbamoyl-2-pyridinyl)-propylamino]oxolane-3-carboxylic acid

4-[(5-carbamoyl-2-pyridinyl)-propylamino]oxolane-3-carboxylic acid (PubChem CID 66253038) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 4-[(5-carbamoyl-2-pyridinyl)-propylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(5-carbamoyl-2-pyridinyl)-propylamino]oxolane-3-carboxylic acid
PubChem CID66253038
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name4-[(5-carbamoyl-2-pyridinyl)-propylamino]oxolane-3-carboxylic acid
SMILESCCCN(c1ccc(C(N)=O)cn1)C1COCC1C(=O)O
InChIInChI=1S/C14H19N3O4/c1-2-5-17(11-8-21-7-10(11)14(19)20)12-4-3-9(6-16-12)13(15)18/h3-4,6,10-11H,2,5,7-8H2,1H3,(H2,15,18)(H,19,20)
InChIKeyOVOLOYLXYWOAOK-UHFFFAOYSA-N
XLogP0.50
TPSA105.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[(5-carbamoyl-2-pyridinyl)-propylamino]oxolane-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[ethyl-[5-(trifluoromethyl)-2-pyridinyl]amino]oxolane-3-carboxylic acid
CID 66247641
4-[(6-ethoxypyrimidin-4-yl)-propylamino]oxolane-3-carboxylic acid
CID 66319006
4-[propyl(1,3,4-thiadiazol-2-yl)amino]oxolane-3-carboxylic acid
CID 66252065
4-[(4-carbamoyl-6-methyl-2-pyridinyl)-ethylamino]oxolane-3-carboxylic acid
CID 114765479
4-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)-propylamino]oxolane-3-carboxylic acid
CID 136959182
4-[(6-chloropyridazin-3-yl)-ethylamino]oxolane-3-carboxylic acid
CID 66247052
4-[[2-(dimethylamino)pyrimidin-4-yl]-ethylamino]oxolane-3-carboxylic acid
CID 66246649
4-[(2-cyano-4-pyridinyl)-propylamino]oxolane-3-carboxylic acid
CID 66252252
4-[(4-methylbenzoyl)-propylamino]oxolane-3-carboxylic acid
CID 66254149
4-[(3-nitro-4-pyridinyl)-propylamino]oxolane-3-carboxylic acid
CID 66254191
4-[(4-chloro-1,3-thiazol-2-yl)-propylamino]oxolane-3-carboxylic acid
CID 83152967
4-[(5-carbamoyl-2-fluorophenyl)methyl-methylamino]oxolane-3-carboxylic acid
CID 66236839

Frequently Asked Questions

What is the IUPAC name of 4-[(5-carbamoyl-2-pyridinyl)-propylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[(5-carbamoyl-2-pyridinyl)-propylamino]oxolane-3-carboxylic acid (CID 66253038) is 4-[(5-carbamoyl-2-pyridinyl)-propylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(5-carbamoyl-2-pyridinyl)-propylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[(5-carbamoyl-2-pyridinyl)-propylamino]oxolane-3-carboxylic acid is CCCN(c1ccc(C(N)=O)cn1)C1COCC1C(=O)O.
What is the InChIKey of 4-[(5-carbamoyl-2-pyridinyl)-propylamino]oxolane-3-carboxylic acid?
The InChIKey is OVOLOYLXYWOAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-2-5-17(11-8-21-7-10(11)14(19)20)12-4-3-9(6-16-12)13(15)18/h3-4,6,10-11H,2,5,7-8H2,1H3,(H2,15,18)(H,19,20).
What are the key properties of 4-[(5-carbamoyl-2-pyridinyl)-propylamino]oxolane-3-carboxylic acid?
4-[(5-carbamoyl-2-pyridinyl)-propylamino]oxolane-3-carboxylic acid has a molecular weight of 293.32 g/mol, XLogP of 0.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-carbamoyl-2-pyridinyl)-propylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66253038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).