2-[2-hydroxy-5-[(5-methyl-1,2-oxazole-3-carbonyl)amino]phenyl]pyridine-4-carboxylic acid

C17H13N3O5 — CID 135567038

IUPAC2-[2-hydroxy-5-[(5-methyl-1,2-oxazole-3-carbonyl)amino]phenyl]pyridine-4-carboxylic acid
SMILESCc1cc(C(=O)Nc2ccc(O)c(-c3cc(C(=O)O)ccn3)c2)no1
InChIInChI=1S/C17H13N3O5/c1-9-6-14(20-25-9)16(22)19-11-2-3-15(21)12(8-11)13-7-10(17(23)24)4-5-18-13/h2-8,21H,1H3,(H,19,22)(H,23,24)
InChIKeySXVDKQLIPBWXCB-UHFFFAOYSA-N
MW339.31 g/mol
LogP2.70
Rot. Bonds4

About 2-[2-hydroxy-5-[(5-methyl-1,2-oxazole-3-carbonyl)amino]phenyl]pyridine-4-carboxylic acid

2-[2-hydroxy-5-[(5-methyl-1,2-oxazole-3-carbonyl)amino]phenyl]pyridine-4-carboxylic acid (PubChem CID 135567038) has the molecular formula C17H13N3O5 and a molecular weight of 339.31 g/mol. Its IUPAC name is 2-[2-hydroxy-5-[(5-methyl-1,2-oxazole-3-carbonyl)amino]phenyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-hydroxy-5-[(5-methyl-1,2-oxazole-3-carbonyl)amino]phenyl]pyridine-4-carboxylic acid
PubChem CID135567038
Molecular FormulaC17H13N3O5
Molecular Weight339.31 g/mol
Exact Mass339.09
IUPAC Name2-[2-hydroxy-5-[(5-methyl-1,2-oxazole-3-carbonyl)amino]phenyl]pyridine-4-carboxylic acid
SMILESCc1cc(C(=O)Nc2ccc(O)c(-c3cc(C(=O)O)ccn3)c2)no1
InChIInChI=1S/C17H13N3O5/c1-9-6-14(20-25-9)16(22)19-11-2-3-15(21)12(8-11)13-7-10(17(23)24)4-5-18-13/h2-8,21H,1H3,(H,19,22)(H,23,24)
InChIKeySXVDKQLIPBWXCB-UHFFFAOYSA-N
XLogP2.70
TPSA125.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.31
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

5-phenyl-N-(2-pyridinylmethyl)-3-isoxazolecarboxamide
CID 973877
2-[5-[(4-Hydroxyphenyl)carbonylamino]-2-Oxidanyl-Phenyl]pyridine-4-Carboxylic Acid
CID 135567041
5-(2-hydroxyphenyl)-N-pyridin-3-ylisoxazole-3-carboxamide
CID 135439782
N-(2-chloro(3-pyridyl))[5-(2-hydroxyphenyl)isoxazol-3-yl]carboxamide
CID 135693599
N-(2-chloro(3-pyridyl))[5-(4-hydroxyphenyl)isoxazol-3-yl]carboxamide
CID 135693609
5-phenyl-N-(3-pyridinylmethyl)-3-isoxazolecarboxamide
CID 973868
[3-(2-Hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 54580136
2-(5-Azanyl-2-Oxidanyl-Phenyl)pyridine-4-Carboxylic Acid
CID 135567039
2-(5-Acetamido-2-Oxidanyl-Phenyl)pyridine-4-Carboxylic Acid
CID 135567040
N-pyridin-3-yl-4,5,6,7-tetrahydro-1,2-benzisoxazole-3-carboxamide
CID 3242844
5-(3-methoxyphenyl)-N-3-pyridinyl-3-isoxazolecarboxamide
CID 4519032
2-[2-Hydroxy-5-[(3-hydroxybenzoyl)amino]phenyl]pyridine-4-carboxylic acid
CID 136053701

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxy-5-[(5-methyl-1,2-oxazole-3-carbonyl)amino]phenyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[2-hydroxy-5-[(5-methyl-1,2-oxazole-3-carbonyl)amino]phenyl]pyridine-4-carboxylic acid (CID 135567038) is 2-[2-hydroxy-5-[(5-methyl-1,2-oxazole-3-carbonyl)amino]phenyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[2-hydroxy-5-[(5-methyl-1,2-oxazole-3-carbonyl)amino]phenyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[2-hydroxy-5-[(5-methyl-1,2-oxazole-3-carbonyl)amino]phenyl]pyridine-4-carboxylic acid is Cc1cc(C(=O)Nc2ccc(O)c(-c3cc(C(=O)O)ccn3)c2)no1.
What is the InChIKey of 2-[2-hydroxy-5-[(5-methyl-1,2-oxazole-3-carbonyl)amino]phenyl]pyridine-4-carboxylic acid?
The InChIKey is SXVDKQLIPBWXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O5/c1-9-6-14(20-25-9)16(22)19-11-2-3-15(21)12(8-11)13-7-10(17(23)24)4-5-18-13/h2-8,21H,1H3,(H,19,22)(H,23,24).
What are the key properties of 2-[2-hydroxy-5-[(5-methyl-1,2-oxazole-3-carbonyl)amino]phenyl]pyridine-4-carboxylic acid?
2-[2-hydroxy-5-[(5-methyl-1,2-oxazole-3-carbonyl)amino]phenyl]pyridine-4-carboxylic acid has a molecular weight of 339.31 g/mol, XLogP of 2.70, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxy-5-[(5-methyl-1,2-oxazole-3-carbonyl)amino]phenyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 135567038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).