2-[4-[[2-(3-methyl-2-pyridinyl)acetyl]amino]pyrazol-1-yl]acetic acid

C13H14N4O3 — CID 107147137

IUPAC2-[4-[[2-(3-methyl-2-pyridinyl)acetyl]amino]pyrazol-1-yl]acetic acid
SMILESCc1cccnc1CC(=O)Nc1cnn(CC(=O)O)c1
InChIInChI=1S/C13H14N4O3/c1-9-3-2-4-14-11(9)5-12(18)16-10-6-15-17(7-10)8-13(19)20/h2-4,6-7H,5,8H2,1H3,(H,16,18)(H,19,20)
InChIKeyRKUCPZMADVFJMS-UHFFFAOYSA-N
MW274.28 g/mol
LogP0.85
Rot. Bonds5

About 2-[4-[[2-(3-methyl-2-pyridinyl)acetyl]amino]pyrazol-1-yl]acetic acid

2-[4-[[2-(3-methyl-2-pyridinyl)acetyl]amino]pyrazol-1-yl]acetic acid (PubChem CID 107147137) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is 2-[4-[[2-(3-methyl-2-pyridinyl)acetyl]amino]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[[2-(3-methyl-2-pyridinyl)acetyl]amino]pyrazol-1-yl]acetic acid
PubChem CID107147137
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC Name2-[4-[[2-(3-methyl-2-pyridinyl)acetyl]amino]pyrazol-1-yl]acetic acid
SMILESCc1cccnc1CC(=O)Nc1cnn(CC(=O)O)c1
InChIInChI=1S/C13H14N4O3/c1-9-3-2-4-14-11(9)5-12(18)16-10-6-15-17(7-10)8-13(19)20/h2-4,6-7H,5,8H2,1H3,(H,16,18)(H,19,20)
InChIKeyRKUCPZMADVFJMS-UHFFFAOYSA-N
XLogP0.85
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(propanoylamino)pyrazol-1-yl]acetic acid
CID 61018204
N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-2-phenylacetamide
CID 19346309
N-methyl-2-(3-methyl-2-pyridinyl)acetamide
CID 13400651
2-[4-[3-(2-hydroxyphenyl)propanoylamino]pyrazol-1-yl]acetic acid
CID 61017720
2-[4-[[2-(2-hydroxyphenoxy)acetyl]amino]pyrazol-1-yl]acetic acid
CID 61018494
3-[[2-(3-methyl-2-pyridinyl)acetyl]amino]butanoic acid
CID 107147106
2-[(3-methyl-2-pyridinyl)methylamino]-N-phenylacetamide
CID 55205384
2-(3-fluoro-2-pyridinyl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide
CID 167784514
2-[4-[3-(2-aminophenyl)propanoylamino]pyrazol-1-yl]acetic acid
CID 107273013
2-[4-(4-aminobutanoylamino)pyrazol-1-yl]acetic acid
CID 61285548
2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]butanedioic acid
CID 107147287
2-[4-[(3-amino-2-methylbutanoyl)amino]pyrazol-1-yl]acetic acid
CID 113416289

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(3-methyl-2-pyridinyl)acetyl]amino]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[[2-(3-methyl-2-pyridinyl)acetyl]amino]pyrazol-1-yl]acetic acid (CID 107147137) is 2-[4-[[2-(3-methyl-2-pyridinyl)acetyl]amino]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[[2-(3-methyl-2-pyridinyl)acetyl]amino]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[[2-(3-methyl-2-pyridinyl)acetyl]amino]pyrazol-1-yl]acetic acid is Cc1cccnc1CC(=O)Nc1cnn(CC(=O)O)c1.
What is the InChIKey of 2-[4-[[2-(3-methyl-2-pyridinyl)acetyl]amino]pyrazol-1-yl]acetic acid?
The InChIKey is RKUCPZMADVFJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3/c1-9-3-2-4-14-11(9)5-12(18)16-10-6-15-17(7-10)8-13(19)20/h2-4,6-7H,5,8H2,1H3,(H,16,18)(H,19,20).
What are the key properties of 2-[4-[[2-(3-methyl-2-pyridinyl)acetyl]amino]pyrazol-1-yl]acetic acid?
2-[4-[[2-(3-methyl-2-pyridinyl)acetyl]amino]pyrazol-1-yl]acetic acid has a molecular weight of 274.28 g/mol, XLogP of 0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(3-methyl-2-pyridinyl)acetyl]amino]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 107147137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).