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

C16H20N4O4 — CID 162731559

IUPAC2-[[3-hydroxy-4-methyl-5-[1-(2-methylpropyl)pyrazol-4-yl]pyridine-2-carbonyl]amino]acetic acid
SMILESCc1c(-c2cnn(CC(C)C)c2)cnc(C(=O)NCC(=O)O)c1O
InChIInChI=1S/C16H20N4O4/c1-9(2)7-20-8-11(4-19-20)12-5-17-14(15(23)10(12)3)16(24)18-6-13(21)22/h4-5,8-9,23H,6-7H2,1-3H3,(H,18,24)(H,21,22)
InChIKeyLYNZXAKHMBDTGR-UHFFFAOYSA-N
MW332.36 g/mol
LogP1.43
Rot. Bonds6

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

2-[[3-hydroxy-4-methyl-5-[1-(2-methylpropyl)pyrazol-4-yl]pyridine-2-carbonyl]amino]acetic acid (PubChem CID 162731559) has the molecular formula C16H20N4O4 and a molecular weight of 332.36 g/mol. Its IUPAC name is 2-[[3-hydroxy-4-methyl-5-[1-(2-methylpropyl)pyrazol-4-yl]pyridine-2-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[3-hydroxy-4-methyl-5-[1-(2-methylpropyl)pyrazol-4-yl]pyridine-2-carbonyl]amino]acetic acid
PubChem CID162731559
Molecular FormulaC16H20N4O4
Molecular Weight332.36 g/mol
Exact Mass332.15
IUPAC Name2-[[3-hydroxy-4-methyl-5-[1-(2-methylpropyl)pyrazol-4-yl]pyridine-2-carbonyl]amino]acetic acid
SMILESCc1c(-c2cnn(CC(C)C)c2)cnc(C(=O)NCC(=O)O)c1O
InChIInChI=1S/C16H20N4O4/c1-9(2)7-20-8-11(4-19-20)12-5-17-14(15(23)10(12)3)16(24)18-6-13(21)22/h4-5,8-9,23H,6-7H2,1-3H3,(H,18,24)(H,21,22)
InChIKeyLYNZXAKHMBDTGR-UHFFFAOYSA-N
XLogP1.43
TPSA117.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 51.43
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-(2-methylpropyl)pyrazol-4-yl]pyridine-2-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[3-hydroxy-4-methyl-5-[1-(2-methylpropyl)pyrazol-4-yl]pyridine-2-carbonyl]amino]acetic acid (CID 162731559) is 2-[[3-hydroxy-4-methyl-5-[1-(2-methylpropyl)pyrazol-4-yl]pyridine-2-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[3-hydroxy-4-methyl-5-[1-(2-methylpropyl)pyrazol-4-yl]pyridine-2-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[3-hydroxy-4-methyl-5-[1-(2-methylpropyl)pyrazol-4-yl]pyridine-2-carbonyl]amino]acetic acid is Cc1c(-c2cnn(CC(C)C)c2)cnc(C(=O)NCC(=O)O)c1O.
What is the InChIKey of 2-[[3-hydroxy-4-methyl-5-[1-(2-methylpropyl)pyrazol-4-yl]pyridine-2-carbonyl]amino]acetic acid?
The InChIKey is LYNZXAKHMBDTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O4/c1-9(2)7-20-8-11(4-19-20)12-5-17-14(15(23)10(12)3)16(24)18-6-13(21)22/h4-5,8-9,23H,6-7H2,1-3H3,(H,18,24)(H,21,22).
What are the key properties of 2-[[3-hydroxy-4-methyl-5-[1-(2-methylpropyl)pyrazol-4-yl]pyridine-2-carbonyl]amino]acetic acid?
2-[[3-hydroxy-4-methyl-5-[1-(2-methylpropyl)pyrazol-4-yl]pyridine-2-carbonyl]amino]acetic acid has a molecular weight of 332.36 g/mol, XLogP of 1.43, 6 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-(2-methylpropyl)pyrazol-4-yl]pyridine-2-carbonyl]amino]acetic acid is sourced from PubChem (CID 162731559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).