3-amino-N-(1H-indol-5-yl)-6-pyridin-3-ylpyrazine-2-carboxamide

C18H14N6O — CID 46834031

IUPAC3-amino-N-(1H-indol-5-yl)-6-pyridin-3-ylpyrazine-2-carboxamide
SMILESNc1ncc(-c2cccnc2)nc1C(=O)Nc1ccc2[nH]ccc2c1
InChIInChI=1S/C18H14N6O/c19-17-16(24-15(10-22-17)12-2-1-6-20-9-12)18(25)23-13-3-4-14-11(8-13)5-7-21-14/h1-10,21H,(H2,19,22)(H,23,25)
InChIKeyCDAFCQAHVYKYOR-UHFFFAOYSA-N
MW330.35 g/mol
LogP2.85
Rot. Bonds3

About 3-amino-N-(1H-indol-5-yl)-6-pyridin-3-ylpyrazine-2-carboxamide

3-amino-N-(1H-indol-5-yl)-6-pyridin-3-ylpyrazine-2-carboxamide (PubChem CID 46834031) has the molecular formula C18H14N6O and a molecular weight of 330.35 g/mol. Its IUPAC name is 3-amino-N-(1H-indol-5-yl)-6-pyridin-3-ylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(1H-indol-5-yl)-6-pyridin-3-ylpyrazine-2-carboxamide
PubChem CID46834031
Molecular FormulaC18H14N6O
Molecular Weight330.35 g/mol
Exact Mass330.12
IUPAC Name3-amino-N-(1H-indol-5-yl)-6-pyridin-3-ylpyrazine-2-carboxamide
SMILESNc1ncc(-c2cccnc2)nc1C(=O)Nc1ccc2[nH]ccc2c1
InChIInChI=1S/C18H14N6O/c19-17-16(24-15(10-22-17)12-2-1-6-20-9-12)18(25)23-13-3-4-14-11(8-13)5-7-21-14/h1-10,21H,(H2,19,22)(H,23,25)
InChIKeyCDAFCQAHVYKYOR-UHFFFAOYSA-N
XLogP2.85
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1H-indol-5-yl)-6-pyridin-3-ylpyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-(1H-indol-5-yl)-6-pyridin-3-ylpyrazine-2-carboxamide (CID 46834031) is 3-amino-N-(1H-indol-5-yl)-6-pyridin-3-ylpyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(1H-indol-5-yl)-6-pyridin-3-ylpyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-(1H-indol-5-yl)-6-pyridin-3-ylpyrazine-2-carboxamide is Nc1ncc(-c2cccnc2)nc1C(=O)Nc1ccc2[nH]ccc2c1.
What is the InChIKey of 3-amino-N-(1H-indol-5-yl)-6-pyridin-3-ylpyrazine-2-carboxamide?
The InChIKey is CDAFCQAHVYKYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N6O/c19-17-16(24-15(10-22-17)12-2-1-6-20-9-12)18(25)23-13-3-4-14-11(8-13)5-7-21-14/h1-10,21H,(H2,19,22)(H,23,25).
What are the key properties of 3-amino-N-(1H-indol-5-yl)-6-pyridin-3-ylpyrazine-2-carboxamide?
3-amino-N-(1H-indol-5-yl)-6-pyridin-3-ylpyrazine-2-carboxamide has a molecular weight of 330.35 g/mol, XLogP of 2.85, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1H-indol-5-yl)-6-pyridin-3-ylpyrazine-2-carboxamide is sourced from PubChem (CID 46834031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).