5-[1-(4-propoxyphenyl)ethylamino]pyrazine-2-carboxylic acid

C16H19N3O3 — CID 122053445

IUPAC5-[1-(4-propoxyphenyl)ethylamino]pyrazine-2-carboxylic acid
SMILESCCCOc1ccc(C(C)Nc2cnc(C(=O)O)cn2)cc1
InChIInChI=1S/C16H19N3O3/c1-3-8-22-13-6-4-12(5-7-13)11(2)19-15-10-17-14(9-18-15)16(20)21/h4-7,9-11H,3,8H2,1-2H3,(H,18,19)(H,20,21)
InChIKeySGTUXWMXDMPHDC-UHFFFAOYSA-N
MW301.35 g/mol
LogP3.14
Rot. Bonds7

About 5-[1-(4-propoxyphenyl)ethylamino]pyrazine-2-carboxylic acid

5-[1-(4-propoxyphenyl)ethylamino]pyrazine-2-carboxylic acid (PubChem CID 122053445) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 5-[1-(4-propoxyphenyl)ethylamino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[1-(4-propoxyphenyl)ethylamino]pyrazine-2-carboxylic acid
PubChem CID122053445
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name5-[1-(4-propoxyphenyl)ethylamino]pyrazine-2-carboxylic acid
SMILESCCCOc1ccc(C(C)Nc2cnc(C(=O)O)cn2)cc1
InChIInChI=1S/C16H19N3O3/c1-3-8-22-13-6-4-12(5-7-13)11(2)19-15-10-17-14(9-18-15)16(20)21/h4-7,9-11H,3,8H2,1-2H3,(H,18,19)(H,20,21)
InChIKeySGTUXWMXDMPHDC-UHFFFAOYSA-N
XLogP3.14
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[1-(3,4-dimethylphenyl)ethylamino]pyrazine-2-carboxylic acid
CID 122047926
5-[(2-methyl-4-propoxyphenyl)methylamino]pyrazine-2-carboxylic acid
CID 122056302
5-[1-(2-ethyl-3-oxo-4H-1,4-benzoxazin-7-yl)ethylamino]pyrazine-2-carboxylic acid
CID 122054102
4-[[1-(4-propoxyphenyl)ethylamino]methyl]benzoic acid
CID 122030771
5-(methylamino)-N-(4-propoxyphenyl)pyrazine-2-carboxamide
CID 107375410
5-[4-(4-methoxyphenyl)butan-2-ylamino]pyrazine-2-carboxylic acid
CID 122047940
5-[(1-hydroxy-3-methoxypropan-2-yl)amino]pyrazine-2-carboxylic acid
CID 106190134
5-(1-pyridin-3-ylethylamino)pyrazine-2-carboxylic acid;2,2,2-trifluoroacetic acid
CID 167745164
5-[1-(dimethylamino)propan-2-ylamino]pyrazine-2-carboxylic acid
CID 82949530
5-[(2-methyl-4-propoxyphenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120685180
4-[1-(4-propoxyphenyl)ethylamino]butan-2-ol
CID 64913817
5-[1-(4-ethylphenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid
CID 120684793

Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-propoxyphenyl)ethylamino]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[1-(4-propoxyphenyl)ethylamino]pyrazine-2-carboxylic acid (CID 122053445) is 5-[1-(4-propoxyphenyl)ethylamino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[1-(4-propoxyphenyl)ethylamino]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[1-(4-propoxyphenyl)ethylamino]pyrazine-2-carboxylic acid is CCCOc1ccc(C(C)Nc2cnc(C(=O)O)cn2)cc1.
What is the InChIKey of 5-[1-(4-propoxyphenyl)ethylamino]pyrazine-2-carboxylic acid?
The InChIKey is SGTUXWMXDMPHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-3-8-22-13-6-4-12(5-7-13)11(2)19-15-10-17-14(9-18-15)16(20)21/h4-7,9-11H,3,8H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 5-[1-(4-propoxyphenyl)ethylamino]pyrazine-2-carboxylic acid?
5-[1-(4-propoxyphenyl)ethylamino]pyrazine-2-carboxylic acid has a molecular weight of 301.35 g/mol, XLogP of 3.14, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-propoxyphenyl)ethylamino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 122053445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).