6-[[1-(2,5-dimethylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]amino]pyridine-2-carboxylic acid

C15H17N5O3 — CID 122048334

IUPAC6-[[1-(2,5-dimethylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]amino]pyridine-2-carboxylic acid
SMILESCc1cc(N2CCC(Nc3cccc(C(=O)O)n3)C2=O)n(C)n1
InChIInChI=1S/C15H17N5O3/c1-9-8-13(19(2)18-9)20-7-6-10(14(20)21)16-12-5-3-4-11(17-12)15(22)23/h3-5,8,10H,6-7H2,1-2H3,(H,16,17)(H,22,23)
InChIKeyINADNDZIGGLNQP-UHFFFAOYSA-N
MW315.33 g/mol
LogP1.04
Rot. Bonds4

About 6-[[1-(2,5-dimethylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]amino]pyridine-2-carboxylic acid

6-[[1-(2,5-dimethylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]amino]pyridine-2-carboxylic acid (PubChem CID 122048334) has the molecular formula C15H17N5O3 and a molecular weight of 315.33 g/mol. Its IUPAC name is 6-[[1-(2,5-dimethylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[1-(2,5-dimethylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]amino]pyridine-2-carboxylic acid
PubChem CID122048334
Molecular FormulaC15H17N5O3
Molecular Weight315.33 g/mol
Exact Mass315.13
IUPAC Name6-[[1-(2,5-dimethylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]amino]pyridine-2-carboxylic acid
SMILESCc1cc(N2CCC(Nc3cccc(C(=O)O)n3)C2=O)n(C)n1
InChIInChI=1S/C15H17N5O3/c1-9-8-13(19(2)18-9)20-7-6-10(14(20)21)16-12-5-3-4-11(17-12)15(22)23/h3-5,8,10H,6-7H2,1-2H3,(H,16,17)(H,22,23)
InChIKeyINADNDZIGGLNQP-UHFFFAOYSA-N
XLogP1.04
TPSA100.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2,5-dimethylpyrazol-3-yl)-3-[[6-(trifluoromethyl)-2-pyridinyl]amino]pyrrolidin-2-one
CID 133325575
6-[[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]pyridine-2-carboxylic acid
CID 122053869
3-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one
CID 133402560
3-[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one
CID 133325540
1-(2,5-dimethylpyrazol-3-yl)-3-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]pyrrolidin-2-one
CID 133325552
2-[[1-(2,5-dimethylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]amino]-6-fluorobenzonitrile
CID 133325659
1-[(3R)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]-3-(5-fluoro-2-pyridinyl)urea
CID 124570182
1-methyl-3-[(6-methyl-2-pyridinyl)amino]pyrrolidin-2-one
CID 104891772
1-(1-methylpyrazol-4-yl)-3-[(6-methyl-2-pyridinyl)amino]pyrrolidin-2-one
CID 133483353
(3S)-1-(2,5-dimethylpyrazol-3-yl)-3-[[(1R)-1-(3-methylthiophen-2-yl)ethyl]amino]pyrrolidin-2-one
CID 97102106
(3R)-1-(2,5-dimethylpyrazol-3-yl)-3-[(1-ethylpyrazol-4-yl)amino]pyrrolidin-2-one
CID 99822908
2-[2-[[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]amino]-2-oxoethyl]benzoic acid
CID 120551885

Frequently Asked Questions

What is the IUPAC name of 6-[[1-(2,5-dimethylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]amino]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[1-(2,5-dimethylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]amino]pyridine-2-carboxylic acid (CID 122048334) is 6-[[1-(2,5-dimethylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[1-(2,5-dimethylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]amino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[1-(2,5-dimethylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]amino]pyridine-2-carboxylic acid is Cc1cc(N2CCC(Nc3cccc(C(=O)O)n3)C2=O)n(C)n1.
What is the InChIKey of 6-[[1-(2,5-dimethylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]amino]pyridine-2-carboxylic acid?
The InChIKey is INADNDZIGGLNQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O3/c1-9-8-13(19(2)18-9)20-7-6-10(14(20)21)16-12-5-3-4-11(17-12)15(22)23/h3-5,8,10H,6-7H2,1-2H3,(H,16,17)(H,22,23).
What are the key properties of 6-[[1-(2,5-dimethylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]amino]pyridine-2-carboxylic acid?
6-[[1-(2,5-dimethylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]amino]pyridine-2-carboxylic acid has a molecular weight of 315.33 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(2,5-dimethylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 122048334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).