6-[3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoyl]phenyl]pyrazine-2-carboxylic acid

C21H17N3O3 — CID 150296751

IUPAC6-[3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoyl]phenyl]pyrazine-2-carboxylic acid
SMILESO=C(N[C@@H]1CCc2ccccc21)c1cccc(-c2cncc(C(=O)O)n2)c1
InChIInChI=1S/C21H17N3O3/c25-20(24-17-9-8-13-4-1-2-7-16(13)17)15-6-3-5-14(10-15)18-11-22-12-19(23-18)21(26)27/h1-7,10-12,17H,8-9H2,(H,24,25)(H,26,27)/t17-/m1/s1
InChIKeyGISXOPYQOSTSQA-QGZVFWFLSA-N
MW359.39 g/mol
LogP3.26
Rot. Bonds4

About 6-[3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoyl]phenyl]pyrazine-2-carboxylic acid

6-[3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoyl]phenyl]pyrazine-2-carboxylic acid (PubChem CID 150296751) has the molecular formula C21H17N3O3 and a molecular weight of 359.39 g/mol. Its IUPAC name is 6-[3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoyl]phenyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name6-[3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoyl]phenyl]pyrazine-2-carboxylic acid
PubChem CID150296751
Molecular FormulaC21H17N3O3
Molecular Weight359.39 g/mol
Exact Mass359.13
IUPAC Name6-[3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoyl]phenyl]pyrazine-2-carboxylic acid
SMILESO=C(N[C@@H]1CCc2ccccc21)c1cccc(-c2cncc(C(=O)O)n2)c1
InChIInChI=1S/C21H17N3O3/c25-20(24-17-9-8-13-4-1-2-7-16(13)17)15-6-3-5-14(10-15)18-11-22-12-19(23-18)21(26)27/h1-7,10-12,17H,8-9H2,(H,24,25)(H,26,27)/t17-/m1/s1
InChIKeyGISXOPYQOSTSQA-QGZVFWFLSA-N
XLogP3.26
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoyl]phenyl]pyrazine-2-carboxylic acid?
The IUPAC name of 6-[3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoyl]phenyl]pyrazine-2-carboxylic acid (CID 150296751) is 6-[3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoyl]phenyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 6-[3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoyl]phenyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 6-[3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoyl]phenyl]pyrazine-2-carboxylic acid is O=C(N[C@@H]1CCc2ccccc21)c1cccc(-c2cncc(C(=O)O)n2)c1.
What is the InChIKey of 6-[3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoyl]phenyl]pyrazine-2-carboxylic acid?
The InChIKey is GISXOPYQOSTSQA-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H17N3O3/c25-20(24-17-9-8-13-4-1-2-7-16(13)17)15-6-3-5-14(10-15)18-11-22-12-19(23-18)21(26)27/h1-7,10-12,17H,8-9H2,(H,24,25)(H,26,27)/t17-/m1/s1.
What are the key properties of 6-[3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoyl]phenyl]pyrazine-2-carboxylic acid?
6-[3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoyl]phenyl]pyrazine-2-carboxylic acid has a molecular weight of 359.39 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoyl]phenyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 150296751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).