2-[[3-hydroxy-4-methyl-5-(1-phenylpyrazol-4-yl)pyridine-2-carbonyl]amino]acetic acid

C18H16N4O4 — CID 162731530

IUPAC2-[[3-hydroxy-4-methyl-5-(1-phenylpyrazol-4-yl)pyridine-2-carbonyl]amino]acetic acid
SMILESCc1c(-c2cnn(-c3ccccc3)c2)cnc(C(=O)NCC(=O)O)c1O
InChIInChI=1S/C18H16N4O4/c1-11-14(8-19-16(17(11)25)18(26)20-9-15(23)24)12-7-21-22(10-12)13-5-3-2-4-6-13/h2-8,10,25H,9H2,1H3,(H,20,26)(H,23,24)
InChIKeyADZOKWWFAGEXFM-UHFFFAOYSA-N
MW352.35 g/mol
LogP1.76
Rot. Bonds5

About 2-[[3-hydroxy-4-methyl-5-(1-phenylpyrazol-4-yl)pyridine-2-carbonyl]amino]acetic acid

2-[[3-hydroxy-4-methyl-5-(1-phenylpyrazol-4-yl)pyridine-2-carbonyl]amino]acetic acid (PubChem CID 162731530) has the molecular formula C18H16N4O4 and a molecular weight of 352.35 g/mol. Its IUPAC name is 2-[[3-hydroxy-4-methyl-5-(1-phenylpyrazol-4-yl)pyridine-2-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[3-hydroxy-4-methyl-5-(1-phenylpyrazol-4-yl)pyridine-2-carbonyl]amino]acetic acid
PubChem CID162731530
Molecular FormulaC18H16N4O4
Molecular Weight352.35 g/mol
Exact Mass352.12
IUPAC Name2-[[3-hydroxy-4-methyl-5-(1-phenylpyrazol-4-yl)pyridine-2-carbonyl]amino]acetic acid
SMILESCc1c(-c2cnn(-c3ccccc3)c2)cnc(C(=O)NCC(=O)O)c1O
InChIInChI=1S/C18H16N4O4/c1-11-14(8-19-16(17(11)25)18(26)20-9-15(23)24)12-7-21-22(10-12)13-5-3-2-4-6-13/h2-8,10,25H,9H2,1H3,(H,20,26)(H,23,24)
InChIKeyADZOKWWFAGEXFM-UHFFFAOYSA-N
XLogP1.76
TPSA117.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-hydroxy-4-methyl-5-(1-phenylpyrazol-4-yl)pyridine-2-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[3-hydroxy-4-methyl-5-(1-phenylpyrazol-4-yl)pyridine-2-carbonyl]amino]acetic acid (CID 162731530) is 2-[[3-hydroxy-4-methyl-5-(1-phenylpyrazol-4-yl)pyridine-2-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[3-hydroxy-4-methyl-5-(1-phenylpyrazol-4-yl)pyridine-2-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[3-hydroxy-4-methyl-5-(1-phenylpyrazol-4-yl)pyridine-2-carbonyl]amino]acetic acid is Cc1c(-c2cnn(-c3ccccc3)c2)cnc(C(=O)NCC(=O)O)c1O.
What is the InChIKey of 2-[[3-hydroxy-4-methyl-5-(1-phenylpyrazol-4-yl)pyridine-2-carbonyl]amino]acetic acid?
The InChIKey is ADZOKWWFAGEXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O4/c1-11-14(8-19-16(17(11)25)18(26)20-9-15(23)24)12-7-21-22(10-12)13-5-3-2-4-6-13/h2-8,10,25H,9H2,1H3,(H,20,26)(H,23,24).
What are the key properties of 2-[[3-hydroxy-4-methyl-5-(1-phenylpyrazol-4-yl)pyridine-2-carbonyl]amino]acetic acid?
2-[[3-hydroxy-4-methyl-5-(1-phenylpyrazol-4-yl)pyridine-2-carbonyl]amino]acetic acid has a molecular weight of 352.35 g/mol, XLogP of 1.76, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-hydroxy-4-methyl-5-(1-phenylpyrazol-4-yl)pyridine-2-carbonyl]amino]acetic acid is sourced from PubChem (CID 162731530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).