6-[(6-oxopiperidin-3-yl)carbamoyl]pyridine-3-carboxylic acid

C12H13N3O4 — CID 63661979

IUPAC6-[(6-oxopiperidin-3-yl)carbamoyl]pyridine-3-carboxylic acid
SMILESO=C1CCC(NC(=O)c2ccc(C(=O)O)cn2)CN1
InChIInChI=1S/C12H13N3O4/c16-10-4-2-8(6-14-10)15-11(17)9-3-1-7(5-13-9)12(18)19/h1,3,5,8H,2,4,6H2,(H,14,16)(H,15,17)(H,18,19)
InChIKeyBUJZOKRKGQAJPT-UHFFFAOYSA-N
MW263.25 g/mol
LogP-0.21
Rot. Bonds3

About 6-[(6-oxopiperidin-3-yl)carbamoyl]pyridine-3-carboxylic acid

6-[(6-oxopiperidin-3-yl)carbamoyl]pyridine-3-carboxylic acid (PubChem CID 63661979) has the molecular formula C12H13N3O4 and a molecular weight of 263.25 g/mol. Its IUPAC name is 6-[(6-oxopiperidin-3-yl)carbamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(6-oxopiperidin-3-yl)carbamoyl]pyridine-3-carboxylic acid
PubChem CID63661979
Molecular FormulaC12H13N3O4
Molecular Weight263.25 g/mol
Exact Mass263.09
IUPAC Name6-[(6-oxopiperidin-3-yl)carbamoyl]pyridine-3-carboxylic acid
SMILESO=C1CCC(NC(=O)c2ccc(C(=O)O)cn2)CN1
InChIInChI=1S/C12H13N3O4/c16-10-4-2-8(6-14-10)15-11(17)9-3-1-7(5-13-9)12(18)19/h1,3,5,8H,2,4,6H2,(H,14,16)(H,15,17)(H,18,19)
InChIKeyBUJZOKRKGQAJPT-UHFFFAOYSA-N
XLogP-0.21
TPSA108.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(6-oxopiperidin-3-yl)carbamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[(6-oxopiperidin-3-yl)carbamoyl]pyridine-3-carboxylic acid (CID 63661979) is 6-[(6-oxopiperidin-3-yl)carbamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[(6-oxopiperidin-3-yl)carbamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[(6-oxopiperidin-3-yl)carbamoyl]pyridine-3-carboxylic acid is O=C1CCC(NC(=O)c2ccc(C(=O)O)cn2)CN1.
What is the InChIKey of 6-[(6-oxopiperidin-3-yl)carbamoyl]pyridine-3-carboxylic acid?
The InChIKey is BUJZOKRKGQAJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4/c16-10-4-2-8(6-14-10)15-11(17)9-3-1-7(5-13-9)12(18)19/h1,3,5,8H,2,4,6H2,(H,14,16)(H,15,17)(H,18,19).
What are the key properties of 6-[(6-oxopiperidin-3-yl)carbamoyl]pyridine-3-carboxylic acid?
6-[(6-oxopiperidin-3-yl)carbamoyl]pyridine-3-carboxylic acid has a molecular weight of 263.25 g/mol, XLogP of -0.21, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-oxopiperidin-3-yl)carbamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 63661979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).