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

C12H11N3O4 — CID 81098454

IUPAC5-[[(5-methyl-1,2-oxazole-4-carbonyl)amino]methyl]pyridine-2-carboxylic acid
SMILESCc1oncc1C(=O)NCc1ccc(C(=O)O)nc1
InChIInChI=1S/C12H11N3O4/c1-7-9(6-15-19-7)11(16)14-5-8-2-3-10(12(17)18)13-4-8/h2-4,6H,5H2,1H3,(H,14,16)(H,17,18)
InChIKeyFYZZEDQMEMZJJZ-UHFFFAOYSA-N
MW261.24 g/mol
LogP1.01
Rot. Bonds4

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

5-[[(5-methyl-1,2-oxazole-4-carbonyl)amino]methyl]pyridine-2-carboxylic acid (PubChem CID 81098454) has the molecular formula C12H11N3O4 and a molecular weight of 261.24 g/mol. Its IUPAC name is 5-[[(5-methyl-1,2-oxazole-4-carbonyl)amino]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(5-methyl-1,2-oxazole-4-carbonyl)amino]methyl]pyridine-2-carboxylic acid
PubChem CID81098454
Molecular FormulaC12H11N3O4
Molecular Weight261.24 g/mol
Exact Mass261.07
IUPAC Name5-[[(5-methyl-1,2-oxazole-4-carbonyl)amino]methyl]pyridine-2-carboxylic acid
SMILESCc1oncc1C(=O)NCc1ccc(C(=O)O)nc1
InChIInChI=1S/C12H11N3O4/c1-7-9(6-15-19-7)11(16)14-5-8-2-3-10(12(17)18)13-4-8/h2-4,6H,5H2,1H3,(H,14,16)(H,17,18)
InChIKeyFYZZEDQMEMZJJZ-UHFFFAOYSA-N
XLogP1.01
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[(5-chloro-2-methylbenzoyl)amino]methyl]pyridine-2-carboxylic acid
CID 82871594
5-[[(5-methylpyrazine-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 81100153
5-[[(3-chloro-2-methylbenzoyl)amino]methyl]pyridine-2-carboxylic acid
CID 107096018
5-[[(6-methylpyridine-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 81099042
5-methyl-N-(thiophen-3-ylmethyl)-1,2-oxazole-4-carboxamide
CID 71806156
N-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 110682584
5-[[(5-chlorofuran-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 81098591
5-[[(2,5-dibromobenzoyl)amino]methyl]pyridine-2-carboxylic acid
CID 114368194
5-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-1,2-oxazole-4-carboxamide
CID 61241953
5-[[(2-hydroxy-5-iodobenzoyl)amino]methyl]pyridine-2-carboxylic acid
CID 107731417
5-[[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 81099051
5-[[(5-bromo-2-chlorobenzoyl)amino]methyl]pyridine-2-carboxylic acid
CID 81092297

Frequently Asked Questions

What is the IUPAC name of 5-[[(5-methyl-1,2-oxazole-4-carbonyl)amino]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[[(5-methyl-1,2-oxazole-4-carbonyl)amino]methyl]pyridine-2-carboxylic acid (CID 81098454) is 5-[[(5-methyl-1,2-oxazole-4-carbonyl)amino]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[[(5-methyl-1,2-oxazole-4-carbonyl)amino]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[[(5-methyl-1,2-oxazole-4-carbonyl)amino]methyl]pyridine-2-carboxylic acid is Cc1oncc1C(=O)NCc1ccc(C(=O)O)nc1.
What is the InChIKey of 5-[[(5-methyl-1,2-oxazole-4-carbonyl)amino]methyl]pyridine-2-carboxylic acid?
The InChIKey is FYZZEDQMEMZJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O4/c1-7-9(6-15-19-7)11(16)14-5-8-2-3-10(12(17)18)13-4-8/h2-4,6H,5H2,1H3,(H,14,16)(H,17,18).
What are the key properties of 5-[[(5-methyl-1,2-oxazole-4-carbonyl)amino]methyl]pyridine-2-carboxylic acid?
5-[[(5-methyl-1,2-oxazole-4-carbonyl)amino]methyl]pyridine-2-carboxylic acid has a molecular weight of 261.24 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(5-methyl-1,2-oxazole-4-carbonyl)amino]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 81098454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).