3-[(5-oxopyrrolidin-2-yl)methylcarbamoylamino]pyridine-2-carboxylic acid

C12H14N4O4 — CID 104743679

IUPAC3-[(5-oxopyrrolidin-2-yl)methylcarbamoylamino]pyridine-2-carboxylic acid
SMILESO=C1CCC(CNC(=O)Nc2cccnc2C(=O)O)N1
InChIInChI=1S/C12H14N4O4/c17-9-4-3-7(15-9)6-14-12(20)16-8-2-1-5-13-10(8)11(18)19/h1-2,5,7H,3-4,6H2,(H,15,17)(H,18,19)(H2,14,16,20)
InChIKeyCQLIGAJCLLDDDW-UHFFFAOYSA-N
MW278.27 g/mol
LogP0.18
Rot. Bonds4

About 3-[(5-oxopyrrolidin-2-yl)methylcarbamoylamino]pyridine-2-carboxylic acid

3-[(5-oxopyrrolidin-2-yl)methylcarbamoylamino]pyridine-2-carboxylic acid (PubChem CID 104743679) has the molecular formula C12H14N4O4 and a molecular weight of 278.27 g/mol. Its IUPAC name is 3-[(5-oxopyrrolidin-2-yl)methylcarbamoylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(5-oxopyrrolidin-2-yl)methylcarbamoylamino]pyridine-2-carboxylic acid
PubChem CID104743679
Molecular FormulaC12H14N4O4
Molecular Weight278.27 g/mol
Exact Mass278.10
IUPAC Name3-[(5-oxopyrrolidin-2-yl)methylcarbamoylamino]pyridine-2-carboxylic acid
SMILESO=C1CCC(CNC(=O)Nc2cccnc2C(=O)O)N1
InChIInChI=1S/C12H14N4O4/c17-9-4-3-7(15-9)6-14-12(20)16-8-2-1-5-13-10(8)11(18)19/h1-2,5,7H,3-4,6H2,(H,15,17)(H,18,19)(H2,14,16,20)
InChIKeyCQLIGAJCLLDDDW-UHFFFAOYSA-N
XLogP0.18
TPSA120.42 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 50.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-oxopyrrolidin-2-yl)methylcarbamoylamino]pyridine-2-carboxylic acid?
The IUPAC name of 3-[(5-oxopyrrolidin-2-yl)methylcarbamoylamino]pyridine-2-carboxylic acid (CID 104743679) is 3-[(5-oxopyrrolidin-2-yl)methylcarbamoylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[(5-oxopyrrolidin-2-yl)methylcarbamoylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[(5-oxopyrrolidin-2-yl)methylcarbamoylamino]pyridine-2-carboxylic acid is O=C1CCC(CNC(=O)Nc2cccnc2C(=O)O)N1.
What is the InChIKey of 3-[(5-oxopyrrolidin-2-yl)methylcarbamoylamino]pyridine-2-carboxylic acid?
The InChIKey is CQLIGAJCLLDDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O4/c17-9-4-3-7(15-9)6-14-12(20)16-8-2-1-5-13-10(8)11(18)19/h1-2,5,7H,3-4,6H2,(H,15,17)(H,18,19)(H2,14,16,20).
What are the key properties of 3-[(5-oxopyrrolidin-2-yl)methylcarbamoylamino]pyridine-2-carboxylic acid?
3-[(5-oxopyrrolidin-2-yl)methylcarbamoylamino]pyridine-2-carboxylic acid has a molecular weight of 278.27 g/mol, XLogP of 0.18, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-oxopyrrolidin-2-yl)methylcarbamoylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 104743679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).