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

C15H18N4O4 — CID 162731697

IUPAC2-[[3-hydroxy-4-methyl-5-(1-propan-2-ylpyrazol-4-yl)pyridine-2-carbonyl]amino]acetic acid
SMILESCc1c(-c2cnn(C(C)C)c2)cnc(C(=O)NCC(=O)O)c1O
InChIInChI=1S/C15H18N4O4/c1-8(2)19-7-10(4-18-19)11-5-16-13(14(22)9(11)3)15(23)17-6-12(20)21/h4-5,7-8,22H,6H2,1-3H3,(H,17,23)(H,20,21)
InChIKeyOYKCHPWOEMJKKX-UHFFFAOYSA-N
MW318.33 g/mol
LogP1.35
Rot. Bonds5

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

2-[[3-hydroxy-4-methyl-5-(1-propan-2-ylpyrazol-4-yl)pyridine-2-carbonyl]amino]acetic acid (PubChem CID 162731697) has the molecular formula C15H18N4O4 and a molecular weight of 318.33 g/mol. Its IUPAC name is 2-[[3-hydroxy-4-methyl-5-(1-propan-2-ylpyrazol-4-yl)pyridine-2-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[3-hydroxy-4-methyl-5-(1-propan-2-ylpyrazol-4-yl)pyridine-2-carbonyl]amino]acetic acid
PubChem CID162731697
Molecular FormulaC15H18N4O4
Molecular Weight318.33 g/mol
Exact Mass318.13
IUPAC Name2-[[3-hydroxy-4-methyl-5-(1-propan-2-ylpyrazol-4-yl)pyridine-2-carbonyl]amino]acetic acid
SMILESCc1c(-c2cnn(C(C)C)c2)cnc(C(=O)NCC(=O)O)c1O
InChIInChI=1S/C15H18N4O4/c1-8(2)19-7-10(4-18-19)11-5-16-13(14(22)9(11)3)15(23)17-6-12(20)21/h4-5,7-8,22H,6H2,1-3H3,(H,17,23)(H,20,21)
InChIKeyOYKCHPWOEMJKKX-UHFFFAOYSA-N
XLogP1.35
TPSA117.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 51.35
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-propan-2-ylpyrazol-4-yl)pyridine-2-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[3-hydroxy-4-methyl-5-(1-propan-2-ylpyrazol-4-yl)pyridine-2-carbonyl]amino]acetic acid (CID 162731697) is 2-[[3-hydroxy-4-methyl-5-(1-propan-2-ylpyrazol-4-yl)pyridine-2-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[3-hydroxy-4-methyl-5-(1-propan-2-ylpyrazol-4-yl)pyridine-2-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[3-hydroxy-4-methyl-5-(1-propan-2-ylpyrazol-4-yl)pyridine-2-carbonyl]amino]acetic acid is Cc1c(-c2cnn(C(C)C)c2)cnc(C(=O)NCC(=O)O)c1O.
What is the InChIKey of 2-[[3-hydroxy-4-methyl-5-(1-propan-2-ylpyrazol-4-yl)pyridine-2-carbonyl]amino]acetic acid?
The InChIKey is OYKCHPWOEMJKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O4/c1-8(2)19-7-10(4-18-19)11-5-16-13(14(22)9(11)3)15(23)17-6-12(20)21/h4-5,7-8,22H,6H2,1-3H3,(H,17,23)(H,20,21).
What are the key properties of 2-[[3-hydroxy-4-methyl-5-(1-propan-2-ylpyrazol-4-yl)pyridine-2-carbonyl]amino]acetic acid?
2-[[3-hydroxy-4-methyl-5-(1-propan-2-ylpyrazol-4-yl)pyridine-2-carbonyl]amino]acetic acid has a molecular weight of 318.33 g/mol, XLogP of 1.35, 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-propan-2-ylpyrazol-4-yl)pyridine-2-carbonyl]amino]acetic acid is sourced from PubChem (CID 162731697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).