6-[[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]pyridine-2-carboxylic acid

C14H15N5O3 — CID 122053869

IUPAC6-[[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]pyridine-2-carboxylic acid
SMILESCn1cc(N2CCC(Nc3cccc(C(=O)O)n3)C2=O)cn1
InChIInChI=1S/C14H15N5O3/c1-18-8-9(7-15-18)19-6-5-10(13(19)20)16-12-4-2-3-11(17-12)14(21)22/h2-4,7-8,10H,5-6H2,1H3,(H,16,17)(H,21,22)
InChIKeyCYUTZCCNBPXQGI-UHFFFAOYSA-N
MW301.31 g/mol
LogP0.73
Rot. Bonds4

About 6-[[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]pyridine-2-carboxylic acid

6-[[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]pyridine-2-carboxylic acid (PubChem CID 122053869) has the molecular formula C14H15N5O3 and a molecular weight of 301.31 g/mol. Its IUPAC name is 6-[[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]pyridine-2-carboxylic acid
PubChem CID122053869
Molecular FormulaC14H15N5O3
Molecular Weight301.31 g/mol
Exact Mass301.12
IUPAC Name6-[[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]pyridine-2-carboxylic acid
SMILESCn1cc(N2CCC(Nc3cccc(C(=O)O)n3)C2=O)cn1
InChIInChI=1S/C14H15N5O3/c1-18-8-9(7-15-18)19-6-5-10(13(19)20)16-12-4-2-3-11(17-12)14(21)22/h2-4,7-8,10H,5-6H2,1H3,(H,16,17)(H,21,22)
InChIKeyCYUTZCCNBPXQGI-UHFFFAOYSA-N
XLogP0.73
TPSA100.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]pyridine-2-carboxylic acid (CID 122053869) is 6-[[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]pyridine-2-carboxylic acid is Cn1cc(N2CCC(Nc3cccc(C(=O)O)n3)C2=O)cn1.
What is the InChIKey of 6-[[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]pyridine-2-carboxylic acid?
The InChIKey is CYUTZCCNBPXQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O3/c1-18-8-9(7-15-18)19-6-5-10(13(19)20)16-12-4-2-3-11(17-12)14(21)22/h2-4,7-8,10H,5-6H2,1H3,(H,16,17)(H,21,22).
What are the key properties of 6-[[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]pyridine-2-carboxylic acid?
6-[[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]pyridine-2-carboxylic acid has a molecular weight of 301.31 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 122053869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).