2-[[3-[1-(5-hydroxy-2-pyridinyl)pyrazol-3-yl]-2-methylpropanoyl]amino]benzoic acid

C19H18N4O4 — CID 46890197

IUPAC2-[[3-[1-(5-hydroxy-2-pyridinyl)pyrazol-3-yl]-2-methylpropanoyl]amino]benzoic acid
SMILESCC(Cc1ccn(-c2ccc(O)cn2)n1)C(=O)Nc1ccccc1C(=O)O
InChIInChI=1S/C19H18N4O4/c1-12(18(25)21-16-5-3-2-4-15(16)19(26)27)10-13-8-9-23(22-13)17-7-6-14(24)11-20-17/h2-9,11-12,24H,10H2,1H3,(H,21,25)(H,26,27)
InChIKeyAMULEMYYQGJZNA-UHFFFAOYSA-N
MW366.38 g/mol
LogP2.49
Rot. Bonds6

About 2-[[3-[1-(5-hydroxy-2-pyridinyl)pyrazol-3-yl]-2-methylpropanoyl]amino]benzoic acid

2-[[3-[1-(5-hydroxy-2-pyridinyl)pyrazol-3-yl]-2-methylpropanoyl]amino]benzoic acid (PubChem CID 46890197) has the molecular formula C19H18N4O4 and a molecular weight of 366.38 g/mol. Its IUPAC name is 2-[[3-[1-(5-hydroxy-2-pyridinyl)pyrazol-3-yl]-2-methylpropanoyl]amino]benzoic acid.

Molecular Properties

Compound Name2-[[3-[1-(5-hydroxy-2-pyridinyl)pyrazol-3-yl]-2-methylpropanoyl]amino]benzoic acid
PubChem CID46890197
Molecular FormulaC19H18N4O4
Molecular Weight366.38 g/mol
Exact Mass366.13
IUPAC Name2-[[3-[1-(5-hydroxy-2-pyridinyl)pyrazol-3-yl]-2-methylpropanoyl]amino]benzoic acid
SMILESCC(Cc1ccn(-c2ccc(O)cn2)n1)C(=O)Nc1ccccc1C(=O)O
InChIInChI=1S/C19H18N4O4/c1-12(18(25)21-16-5-3-2-4-15(16)19(26)27)10-13-8-9-23(22-13)17-7-6-14(24)11-20-17/h2-9,11-12,24H,10H2,1H3,(H,21,25)(H,26,27)
InChIKeyAMULEMYYQGJZNA-UHFFFAOYSA-N
XLogP2.49
TPSA117.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-{3-[3-(5-Hydroxypyridin-2-yl)-1,2,4-oxadiazol-5-yl]propanamido}benzoic acid
CID 135800194
2-({2-[(2-Hydroxyphenyl)amino]pyrimidin-4-yl}amino)benzoic acid
CID 23647250
2-{3-[1-(5-hydroxypyridin-2-yl)-1H-pyrazol-3-yl]propanamido}benzoic acid
CID 24741310
2-(3-(1-(5-hydroxypyridin-2-yl)-1H-pyrazol-4-yl)propanamido)cyclohex-1-enecarboxylicacid
CID 15986936
2-[3-[1-(5-Hydroxy-2-pyridinyl)-5-methylpyrazol-4-yl]propanoylamino]benzoic acid
CID 46890198
2-[[3-[1-(5-Hydroxy-2-pyridinyl)-5-methylpyrazol-4-yl]-2-methylpropanoyl]amino]benzoic acid
CID 46890199
2-[3-[1-(5-Hydroxy-2-pyridinyl)-5-methylpyrazol-4-yl]propanoylamino]cyclohexene-1-carboxylic acid
CID 46890237
2-[[3-[1-(5-Hydroxy-2-pyridinyl)-5-methylpyrazol-4-yl]-2-methylpropanoyl]amino]cyclohexene-1-carboxylic acid
CID 46890238
2-[[3-[1-(5-Hydroxy-2-pyridinyl)pyrazol-4-yl]-2-methylpropanoyl]amino]cyclohexene-1-carboxylic acid
CID 46890239
2-[3-[1-(5-Hydroxy-2-pyridinyl)pyrazol-3-yl]propanoylamino]cyclohexene-1-carboxylic acid
CID 46890240
2-[[3-[1-(5-Hydroxy-2-pyridinyl)pyrazol-3-yl]-2-methylpropanoyl]amino]cyclohexene-1-carboxylic acid
CID 46890272
(4R)-2-(3-(1-(5-hydroxypyridin-2-yl)-1H-pyrazol-3-yl)-2-methylpropanamido)-4-methylcyclohex-1-enecarboxylic acid
CID 46890274

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[1-(5-hydroxy-2-pyridinyl)pyrazol-3-yl]-2-methylpropanoyl]amino]benzoic acid?
The IUPAC name of 2-[[3-[1-(5-hydroxy-2-pyridinyl)pyrazol-3-yl]-2-methylpropanoyl]amino]benzoic acid (CID 46890197) is 2-[[3-[1-(5-hydroxy-2-pyridinyl)pyrazol-3-yl]-2-methylpropanoyl]amino]benzoic acid.
What is the SMILES notation for 2-[[3-[1-(5-hydroxy-2-pyridinyl)pyrazol-3-yl]-2-methylpropanoyl]amino]benzoic acid?
The canonical SMILES for 2-[[3-[1-(5-hydroxy-2-pyridinyl)pyrazol-3-yl]-2-methylpropanoyl]amino]benzoic acid is CC(Cc1ccn(-c2ccc(O)cn2)n1)C(=O)Nc1ccccc1C(=O)O.
What is the InChIKey of 2-[[3-[1-(5-hydroxy-2-pyridinyl)pyrazol-3-yl]-2-methylpropanoyl]amino]benzoic acid?
The InChIKey is AMULEMYYQGJZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O4/c1-12(18(25)21-16-5-3-2-4-15(16)19(26)27)10-13-8-9-23(22-13)17-7-6-14(24)11-20-17/h2-9,11-12,24H,10H2,1H3,(H,21,25)(H,26,27).
What are the key properties of 2-[[3-[1-(5-hydroxy-2-pyridinyl)pyrazol-3-yl]-2-methylpropanoyl]amino]benzoic acid?
2-[[3-[1-(5-hydroxy-2-pyridinyl)pyrazol-3-yl]-2-methylpropanoyl]amino]benzoic acid has a molecular weight of 366.38 g/mol, XLogP of 2.49, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[1-(5-hydroxy-2-pyridinyl)pyrazol-3-yl]-2-methylpropanoyl]amino]benzoic acid is sourced from PubChem (CID 46890197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).