2-[4-(methylcarbamoyl)-2-pyridinyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid

C14H11N5O3 — CID 71236266

IUPAC2-[4-(methylcarbamoyl)-2-pyridinyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid
SMILESCNC(=O)c1ccnc(-c2cnc3[nH]cc(C(=O)O)c3n2)c1
InChIInChI=1S/C14H11N5O3/c1-15-13(20)7-2-3-16-9(4-7)10-6-18-12-11(19-10)8(5-17-12)14(21)22/h2-6H,1H3,(H,15,20)(H,17,18)(H,21,22)
InChIKeyADDSUJSNSOYKNR-UHFFFAOYSA-N
MW297.27 g/mol
LogP1.08
Rot. Bonds3

About 2-[4-(methylcarbamoyl)-2-pyridinyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid

2-[4-(methylcarbamoyl)-2-pyridinyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid (PubChem CID 71236266) has the molecular formula C14H11N5O3 and a molecular weight of 297.27 g/mol. Its IUPAC name is 2-[4-(methylcarbamoyl)-2-pyridinyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid.

Molecular Properties

Compound Name2-[4-(methylcarbamoyl)-2-pyridinyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid
PubChem CID71236266
Molecular FormulaC14H11N5O3
Molecular Weight297.27 g/mol
Exact Mass297.09
IUPAC Name2-[4-(methylcarbamoyl)-2-pyridinyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid
SMILESCNC(=O)c1ccnc(-c2cnc3[nH]cc(C(=O)O)c3n2)c1
InChIInChI=1S/C14H11N5O3/c1-15-13(20)7-2-3-16-9(4-7)10-6-18-12-11(19-10)8(5-17-12)14(21)22/h2-6H,1H3,(H,15,20)(H,17,18)(H,21,22)
InChIKeyADDSUJSNSOYKNR-UHFFFAOYSA-N
XLogP1.08
TPSA120.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.27
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[4-(methylcarbamoyl)-2-pyridinyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(methylcarbamoyl)-2-pyridinyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
The IUPAC name of 2-[4-(methylcarbamoyl)-2-pyridinyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid (CID 71236266) is 2-[4-(methylcarbamoyl)-2-pyridinyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid.
What is the SMILES notation for 2-[4-(methylcarbamoyl)-2-pyridinyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
The canonical SMILES for 2-[4-(methylcarbamoyl)-2-pyridinyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid is CNC(=O)c1ccnc(-c2cnc3[nH]cc(C(=O)O)c3n2)c1.
What is the InChIKey of 2-[4-(methylcarbamoyl)-2-pyridinyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
The InChIKey is ADDSUJSNSOYKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5O3/c1-15-13(20)7-2-3-16-9(4-7)10-6-18-12-11(19-10)8(5-17-12)14(21)22/h2-6H,1H3,(H,15,20)(H,17,18)(H,21,22).
What are the key properties of 2-[4-(methylcarbamoyl)-2-pyridinyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
2-[4-(methylcarbamoyl)-2-pyridinyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid has a molecular weight of 297.27 g/mol, XLogP of 1.08, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methylcarbamoyl)-2-pyridinyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid is sourced from PubChem (CID 71236266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).