6-[2-carboxyethyl(oxan-4-yl)carbamoyl]pyridine-3-carboxylic acid

C15H18N2O6 — CID 154842023

IUPAC6-[2-carboxyethyl(oxan-4-yl)carbamoyl]pyridine-3-carboxylic acid
SMILESO=C(O)CCN(C(=O)c1ccc(C(=O)O)cn1)C1CCOCC1
InChIInChI=1S/C15H18N2O6/c18-13(19)3-6-17(11-4-7-23-8-5-11)14(20)12-2-1-10(9-16-12)15(21)22/h1-2,9,11H,3-8H2,(H,18,19)(H,21,22)
InChIKeyRTKXOMDADXLJAC-UHFFFAOYSA-N
MW322.32 g/mol
LogP0.88
Rot. Bonds6

About 6-[2-carboxyethyl(oxan-4-yl)carbamoyl]pyridine-3-carboxylic acid

6-[2-carboxyethyl(oxan-4-yl)carbamoyl]pyridine-3-carboxylic acid (PubChem CID 154842023) has the molecular formula C15H18N2O6 and a molecular weight of 322.32 g/mol. Its IUPAC name is 6-[2-carboxyethyl(oxan-4-yl)carbamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[2-carboxyethyl(oxan-4-yl)carbamoyl]pyridine-3-carboxylic acid
PubChem CID154842023
Molecular FormulaC15H18N2O6
Molecular Weight322.32 g/mol
Exact Mass322.12
IUPAC Name6-[2-carboxyethyl(oxan-4-yl)carbamoyl]pyridine-3-carboxylic acid
SMILESO=C(O)CCN(C(=O)c1ccc(C(=O)O)cn1)C1CCOCC1
InChIInChI=1S/C15H18N2O6/c18-13(19)3-6-17(11-4-7-23-8-5-11)14(20)12-2-1-10(9-16-12)15(21)22/h1-2,9,11H,3-8H2,(H,18,19)(H,21,22)
InChIKeyRTKXOMDADXLJAC-UHFFFAOYSA-N
XLogP0.88
TPSA117.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[cyclopropyl(2-hydroxyethyl)carbamoyl]pyridine-3-carboxylic acid
CID 54995273
3-[(4-chlorobenzoyl)-(oxan-4-yl)amino]propanoic acid
CID 122146334
6-[2-cyanoethyl(cyclopropyl)carbamoyl]pyridine-3-carboxylic acid
CID 54997229
3-[(4-ethoxybenzoyl)-(oxan-4-yl)amino]propanoic acid
CID 122146346
3-[oxan-4-yl-[4-(2-oxopiperidin-1-yl)benzoyl]amino]propanoic acid
CID 119212255
3-[(5-methyl-1-phenylpyrazole-3-carbonyl)-(oxan-4-yl)amino]propanoic acid
CID 119212253
6-[methyl(oxan-4-yl)amino]pyridine-3-carboxylic acid
CID 43611328
3-[[1-(4-chlorophenyl)pyrazole-4-carbonyl]-(oxan-4-yl)amino]propanoic acid
CID 119212309
3-[furo[3,2-c]pyridine-4-carbonyl(oxan-4-yl)amino]propanoic acid
CID 167765455
3-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)-(oxan-4-yl)amino]propanoic acid
CID 122146490
3-[(2-methylfuran-3-carbonyl)-(oxan-4-yl)amino]propanoic acid
CID 119212251
3-[[1-(2-chlorophenyl)pyrazole-3-carbonyl]-(oxan-4-yl)amino]propanoic acid
CID 119212319

Frequently Asked Questions

What is the IUPAC name of 6-[2-carboxyethyl(oxan-4-yl)carbamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[2-carboxyethyl(oxan-4-yl)carbamoyl]pyridine-3-carboxylic acid (CID 154842023) is 6-[2-carboxyethyl(oxan-4-yl)carbamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[2-carboxyethyl(oxan-4-yl)carbamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[2-carboxyethyl(oxan-4-yl)carbamoyl]pyridine-3-carboxylic acid is O=C(O)CCN(C(=O)c1ccc(C(=O)O)cn1)C1CCOCC1.
What is the InChIKey of 6-[2-carboxyethyl(oxan-4-yl)carbamoyl]pyridine-3-carboxylic acid?
The InChIKey is RTKXOMDADXLJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O6/c18-13(19)3-6-17(11-4-7-23-8-5-11)14(20)12-2-1-10(9-16-12)15(21)22/h1-2,9,11H,3-8H2,(H,18,19)(H,21,22).
What are the key properties of 6-[2-carboxyethyl(oxan-4-yl)carbamoyl]pyridine-3-carboxylic acid?
6-[2-carboxyethyl(oxan-4-yl)carbamoyl]pyridine-3-carboxylic acid has a molecular weight of 322.32 g/mol, XLogP of 0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-carboxyethyl(oxan-4-yl)carbamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 154842023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).