6-(4-propan-2-yloxyanilino)pyrazine-2-carboxylic acid

C14H15N3O3 — CID 66456786

IUPAC6-(4-propan-2-yloxyanilino)pyrazine-2-carboxylic acid
SMILESCC(C)Oc1ccc(Nc2cncc(C(=O)O)n2)cc1
InChIInChI=1S/C14H15N3O3/c1-9(2)20-11-5-3-10(4-6-11)16-13-8-15-7-12(17-13)14(18)19/h3-9H,1-2H3,(H,16,17)(H,18,19)
InChIKeyNUNBZZZGQQCNRL-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.71
Rot. Bonds5

About 6-(4-propan-2-yloxyanilino)pyrazine-2-carboxylic acid

6-(4-propan-2-yloxyanilino)pyrazine-2-carboxylic acid (PubChem CID 66456786) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 6-(4-propan-2-yloxyanilino)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name6-(4-propan-2-yloxyanilino)pyrazine-2-carboxylic acid
PubChem CID66456786
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name6-(4-propan-2-yloxyanilino)pyrazine-2-carboxylic acid
SMILESCC(C)Oc1ccc(Nc2cncc(C(=O)O)n2)cc1
InChIInChI=1S/C14H15N3O3/c1-9(2)20-11-5-3-10(4-6-11)16-13-8-15-7-12(17-13)14(18)19/h3-9H,1-2H3,(H,16,17)(H,18,19)
InChIKeyNUNBZZZGQQCNRL-UHFFFAOYSA-N
XLogP2.71
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-hydrazinyl-N-(4-propan-2-yloxyphenyl)pyrazin-2-amine
CID 80920324
6-(4-carbamoylanilino)pyrazine-2-carboxylic acid
CID 66458122
3-chloro-6-(4-propan-2-yloxyanilino)pyridine-2-carboxylic acid
CID 28969994
6-(4-butylanilino)pyrazine-2-carboxylic acid
CID 66457204
6-propan-2-yloxypyrazine-2-carboxylic acid
CID 65440453
6-(3-methylanilino)pyrazine-2-carboxylic acid
CID 66455982
methyl 6-(4-methylanilino)pyrazine-2-carboxylate
CID 66455786
4-[[6-methyl-2-(4-propan-2-yloxyanilino)pyrimidin-4-yl]amino]benzoic acid
CID 113194360
1-[4-[[3-(4-propan-2-yloxyanilino)-1,2,4-triazin-5-yl]amino]phenyl]ethanone
CID 112967900
methyl 6-(4-acetamidoanilino)pyrazine-2-carboxylate
CID 66456378
methyl 6-(4-aminoanilino)pyrazine-2-carboxylate
CID 66456957
6-(4-bromo-3-chloroanilino)pyrazine-2-carboxylic acid
CID 107613331

Frequently Asked Questions

What is the IUPAC name of 6-(4-propan-2-yloxyanilino)pyrazine-2-carboxylic acid?
The IUPAC name of 6-(4-propan-2-yloxyanilino)pyrazine-2-carboxylic acid (CID 66456786) is 6-(4-propan-2-yloxyanilino)pyrazine-2-carboxylic acid.
What is the SMILES notation for 6-(4-propan-2-yloxyanilino)pyrazine-2-carboxylic acid?
The canonical SMILES for 6-(4-propan-2-yloxyanilino)pyrazine-2-carboxylic acid is CC(C)Oc1ccc(Nc2cncc(C(=O)O)n2)cc1.
What is the InChIKey of 6-(4-propan-2-yloxyanilino)pyrazine-2-carboxylic acid?
The InChIKey is NUNBZZZGQQCNRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-9(2)20-11-5-3-10(4-6-11)16-13-8-15-7-12(17-13)14(18)19/h3-9H,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 6-(4-propan-2-yloxyanilino)pyrazine-2-carboxylic acid?
6-(4-propan-2-yloxyanilino)pyrazine-2-carboxylic acid has a molecular weight of 273.29 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-propan-2-yloxyanilino)pyrazine-2-carboxylic acid is sourced from PubChem (CID 66456786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).