3-(3-phenylpropanoylamino)pyrazine-2-carboxylic acid

C14H13N3O3 — CID 63261894

IUPAC3-(3-phenylpropanoylamino)pyrazine-2-carboxylic acid
SMILESO=C(CCc1ccccc1)Nc1nccnc1C(=O)O
InChIInChI=1S/C14H13N3O3/c18-11(7-6-10-4-2-1-3-5-10)17-13-12(14(19)20)15-8-9-16-13/h1-5,8-9H,6-7H2,(H,19,20)(H,16,17,18)
InChIKeyMRWAEWBFAIIKFY-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.75
Rot. Bonds5

About 3-(3-phenylpropanoylamino)pyrazine-2-carboxylic acid

3-(3-phenylpropanoylamino)pyrazine-2-carboxylic acid (PubChem CID 63261894) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is 3-(3-phenylpropanoylamino)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-(3-phenylpropanoylamino)pyrazine-2-carboxylic acid
PubChem CID63261894
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Name3-(3-phenylpropanoylamino)pyrazine-2-carboxylic acid
SMILESO=C(CCc1ccccc1)Nc1nccnc1C(=O)O
InChIInChI=1S/C14H13N3O3/c18-11(7-6-10-4-2-1-3-5-10)17-13-12(14(19)20)15-8-9-16-13/h1-5,8-9H,6-7H2,(H,19,20)(H,16,17,18)
InChIKeyMRWAEWBFAIIKFY-UHFFFAOYSA-N
XLogP1.75
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-phenylethylcarbamoyl)pyrazine-2-carboxylic acid
CID 1207738
3-acetamidopyrazine-2-carboxylic acid
CID 10511603
4-(3-phenylpropanoylamino)benzoic acid
CID 10492186
4-(3-phenylpropanoylamino)pyridine-2-carboxylic acid;2,2,2-trifluoroacetic acid
CID 167945350
N-(5-amino-3-methyl-2-pyridinyl)-3-phenylpropanamide
CID 112555372
N,N'-bis[4-(3-phenylpropanoylamino)phenyl]pentanediamide
CID 17233797
N-(4-hydroxyphenyl)-3-phenylpropanamide
CID 836055
3-phenyl-N-[4-(phenylcarbamoylamino)phenyl]propanamide
CID 17233492
3-phenyl-N-[5-(3-phenylpropanoylamino)naphthalen-1-yl]propanamide
CID 1010239
3-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxylic acid
CID 62709932
N-(6,7-dihydro-5H-cyclopenta[b]pyrazin-6-yl)-3-phenylpropanamide
CID 167947656
3-[(4-ethylbenzoyl)amino]pyrazine-2-carboxylic acid
CID 63262061

Frequently Asked Questions

What is the IUPAC name of 3-(3-phenylpropanoylamino)pyrazine-2-carboxylic acid?
The IUPAC name of 3-(3-phenylpropanoylamino)pyrazine-2-carboxylic acid (CID 63261894) is 3-(3-phenylpropanoylamino)pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-(3-phenylpropanoylamino)pyrazine-2-carboxylic acid?
The canonical SMILES for 3-(3-phenylpropanoylamino)pyrazine-2-carboxylic acid is O=C(CCc1ccccc1)Nc1nccnc1C(=O)O.
What is the InChIKey of 3-(3-phenylpropanoylamino)pyrazine-2-carboxylic acid?
The InChIKey is MRWAEWBFAIIKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c18-11(7-6-10-4-2-1-3-5-10)17-13-12(14(19)20)15-8-9-16-13/h1-5,8-9H,6-7H2,(H,19,20)(H,16,17,18).
What are the key properties of 3-(3-phenylpropanoylamino)pyrazine-2-carboxylic acid?
3-(3-phenylpropanoylamino)pyrazine-2-carboxylic acid has a molecular weight of 271.28 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-phenylpropanoylamino)pyrazine-2-carboxylic acid is sourced from PubChem (CID 63261894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).