3-amino-6-(4-piperidin-1-ylsulfonylphenyl)-N-pyridin-3-ylpyrazine-2-carboxamide

C21H22N6O3S — CID 10138033

IUPAC3-amino-6-(4-piperidin-1-ylsulfonylphenyl)-N-pyridin-3-ylpyrazine-2-carboxamide
SMILESNc1ncc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)nc1C(=O)Nc1cccnc1
InChIInChI=1S/C21H22N6O3S/c22-20-19(21(28)25-16-5-4-10-23-13-16)26-18(14-24-20)15-6-8-17(9-7-15)31(29,30)27-11-2-1-3-12-27/h4-10,13-14H,1-3,11-12H2,(H2,22,24)(H,25,28)
InChIKeyIEEBCOQGVKHYNM-UHFFFAOYSA-N
MW438.51 g/mol
LogP2.55
Rot. Bonds5

About 3-amino-6-(4-piperidin-1-ylsulfonylphenyl)-N-pyridin-3-ylpyrazine-2-carboxamide

3-amino-6-(4-piperidin-1-ylsulfonylphenyl)-N-pyridin-3-ylpyrazine-2-carboxamide (PubChem CID 10138033) has the molecular formula C21H22N6O3S and a molecular weight of 438.51 g/mol. Its IUPAC name is 3-amino-6-(4-piperidin-1-ylsulfonylphenyl)-N-pyridin-3-ylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-(4-piperidin-1-ylsulfonylphenyl)-N-pyridin-3-ylpyrazine-2-carboxamide
PubChem CID10138033
Molecular FormulaC21H22N6O3S
Molecular Weight438.51 g/mol
Exact Mass438.15
IUPAC Name3-amino-6-(4-piperidin-1-ylsulfonylphenyl)-N-pyridin-3-ylpyrazine-2-carboxamide
SMILESNc1ncc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)nc1C(=O)Nc1cccnc1
InChIInChI=1S/C21H22N6O3S/c22-20-19(21(28)25-16-5-4-10-23-13-16)26-18(14-24-20)15-6-8-17(9-7-15)31(29,30)27-11-2-1-3-12-27/h4-10,13-14H,1-3,11-12H2,(H2,22,24)(H,25,28)
InChIKeyIEEBCOQGVKHYNM-UHFFFAOYSA-N
XLogP2.55
TPSA131.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.51
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

Azd2858
CID 10138980
VE-821
CID 51000408
3-amino-6-(4-morpholin-4-ylsulfonylphenyl)-N-pyridin-3-ylpyrazine-2-carboxamide
CID 10297008
3-amino-6-[4-(2-methoxyethylsulfamoyl)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide
CID 56603751
3-amino-6-[2-methyl-4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-pyridin-3-ylpyrazine-2-carboxamide
CID 10118014
3-Amino-N-(3-Methoxypropyl)-6-{4-[(4-Methylpiperazin-1-Yl)sulfonyl]phenyl}pyrazine-2-Carboxamide
CID 10254786
3-amino-N-(2-methoxyethyl)-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide
CID 10367481
3-Amino-6-(4-{[2-(Dimethylamino)ethyl]sulfamoyl}phenyl)-N-Pyridin-3-Ylpyrazine-2-Carboxamide
CID 56962315
3-amino-N-[4-[(dimethylamino)methyl]-3-pyridinyl]-6-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazine-2-carboxamide
CID 10142642
3-amino-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-[4-(pyrrolidin-1-ylmethyl)-3-pyridinyl]pyrazine-2-carboxamide
CID 10231705
3-Amino-N-[4-(4-amino-1-piperidinyl)-3-pyridinyl]-6-phenyl-2-pyrazinecarboxamide
CID 68187629
3-amino-6-[4-[2-(dimethylamino)ethyl-ethylsulfamoyl]phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide
CID 10118131

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(4-piperidin-1-ylsulfonylphenyl)-N-pyridin-3-ylpyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-(4-piperidin-1-ylsulfonylphenyl)-N-pyridin-3-ylpyrazine-2-carboxamide (CID 10138033) is 3-amino-6-(4-piperidin-1-ylsulfonylphenyl)-N-pyridin-3-ylpyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-(4-piperidin-1-ylsulfonylphenyl)-N-pyridin-3-ylpyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-(4-piperidin-1-ylsulfonylphenyl)-N-pyridin-3-ylpyrazine-2-carboxamide is Nc1ncc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)nc1C(=O)Nc1cccnc1.
What is the InChIKey of 3-amino-6-(4-piperidin-1-ylsulfonylphenyl)-N-pyridin-3-ylpyrazine-2-carboxamide?
The InChIKey is IEEBCOQGVKHYNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O3S/c22-20-19(21(28)25-16-5-4-10-23-13-16)26-18(14-24-20)15-6-8-17(9-7-15)31(29,30)27-11-2-1-3-12-27/h4-10,13-14H,1-3,11-12H2,(H2,22,24)(H,25,28).
What are the key properties of 3-amino-6-(4-piperidin-1-ylsulfonylphenyl)-N-pyridin-3-ylpyrazine-2-carboxamide?
3-amino-6-(4-piperidin-1-ylsulfonylphenyl)-N-pyridin-3-ylpyrazine-2-carboxamide has a molecular weight of 438.51 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(4-piperidin-1-ylsulfonylphenyl)-N-pyridin-3-ylpyrazine-2-carboxamide is sourced from PubChem (CID 10138033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).