3-amino-N-pyridin-3-yl-6-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazine-2-carboxamide

C20H20N6O3S — CID 10113102

IUPAC3-amino-N-pyridin-3-yl-6-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazine-2-carboxamide
SMILESNc1ncc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)nc1C(=O)Nc1cccnc1
InChIInChI=1S/C20H20N6O3S/c21-19-18(20(27)24-15-4-3-9-22-12-15)25-17(13-23-19)14-5-7-16(8-6-14)30(28,29)26-10-1-2-11-26/h3-9,12-13H,1-2,10-11H2,(H2,21,23)(H,24,27)
InChIKeyKEYFECUQJZMQPL-UHFFFAOYSA-N
MW424.49 g/mol
LogP2.16
Rot. Bonds5

About 3-amino-N-pyridin-3-yl-6-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazine-2-carboxamide

3-amino-N-pyridin-3-yl-6-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazine-2-carboxamide (PubChem CID 10113102) has the molecular formula C20H20N6O3S and a molecular weight of 424.49 g/mol. Its IUPAC name is 3-amino-N-pyridin-3-yl-6-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-pyridin-3-yl-6-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazine-2-carboxamide
PubChem CID10113102
Molecular FormulaC20H20N6O3S
Molecular Weight424.49 g/mol
Exact Mass424.13
IUPAC Name3-amino-N-pyridin-3-yl-6-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazine-2-carboxamide
SMILESNc1ncc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)nc1C(=O)Nc1cccnc1
InChIInChI=1S/C20H20N6O3S/c21-19-18(20(27)24-15-4-3-9-22-12-15)25-17(13-23-19)14-5-7-16(8-6-14)30(28,29)26-10-1-2-11-26/h3-9,12-13H,1-2,10-11H2,(H2,21,23)(H,24,27)
InChIKeyKEYFECUQJZMQPL-UHFFFAOYSA-N
XLogP2.16
TPSA131.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.49
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-pyridin-3-yl-6-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-pyridin-3-yl-6-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazine-2-carboxamide (CID 10113102) is 3-amino-N-pyridin-3-yl-6-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-pyridin-3-yl-6-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-pyridin-3-yl-6-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazine-2-carboxamide is Nc1ncc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)nc1C(=O)Nc1cccnc1.
What is the InChIKey of 3-amino-N-pyridin-3-yl-6-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazine-2-carboxamide?
The InChIKey is KEYFECUQJZMQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O3S/c21-19-18(20(27)24-15-4-3-9-22-12-15)25-17(13-23-19)14-5-7-16(8-6-14)30(28,29)26-10-1-2-11-26/h3-9,12-13H,1-2,10-11H2,(H2,21,23)(H,24,27).
What are the key properties of 3-amino-N-pyridin-3-yl-6-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazine-2-carboxamide?
3-amino-N-pyridin-3-yl-6-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazine-2-carboxamide has a molecular weight of 424.49 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-pyridin-3-yl-6-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 10113102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).