N-(3-aminopyrazin-2-yl)sulfonyl-2-(2,4-dimethylphenoxy)-6-(3-fluoro-5-propan-2-yloxyphenyl)pyridine-3-carboxamide

C27H26FN5O5S — CID 121250921

IUPACN-(3-aminopyrazin-2-yl)sulfonyl-2-(2,4-dimethylphenoxy)-6-(3-fluoro-5-propan-2-yloxyphenyl)pyridine-3-carboxamide
SMILESCc1ccc(Oc2nc(-c3cc(F)cc(OC(C)C)c3)ccc2C(=O)NS(=O)(=O)c2nccnc2N)c(C)c1
InChIInChI=1S/C27H26FN5O5S/c1-15(2)37-20-13-18(12-19(28)14-20)22-7-6-21(26(32-22)38-23-8-5-16(3)11-17(23)4)25(34)33-39(35,36)27-24(29)30-9-10-31-27/h5-15H,1-4H3,(H2,29,30)(H,33,34)
InChIKeyFRRRNVZUOSLKOW-UHFFFAOYSA-N
MW551.60 g/mol
LogP4.57
Rot. Bonds8

About N-(3-aminopyrazin-2-yl)sulfonyl-2-(2,4-dimethylphenoxy)-6-(3-fluoro-5-propan-2-yloxyphenyl)pyridine-3-carboxamide

N-(3-aminopyrazin-2-yl)sulfonyl-2-(2,4-dimethylphenoxy)-6-(3-fluoro-5-propan-2-yloxyphenyl)pyridine-3-carboxamide (PubChem CID 121250921) has the molecular formula C27H26FN5O5S and a molecular weight of 551.60 g/mol. Its IUPAC name is N-(3-aminopyrazin-2-yl)sulfonyl-2-(2,4-dimethylphenoxy)-6-(3-fluoro-5-propan-2-yloxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-aminopyrazin-2-yl)sulfonyl-2-(2,4-dimethylphenoxy)-6-(3-fluoro-5-propan-2-yloxyphenyl)pyridine-3-carboxamide
PubChem CID121250921
Molecular FormulaC27H26FN5O5S
Molecular Weight551.60 g/mol
Exact Mass551.16
IUPAC NameN-(3-aminopyrazin-2-yl)sulfonyl-2-(2,4-dimethylphenoxy)-6-(3-fluoro-5-propan-2-yloxyphenyl)pyridine-3-carboxamide
SMILESCc1ccc(Oc2nc(-c3cc(F)cc(OC(C)C)c3)ccc2C(=O)NS(=O)(=O)c2nccnc2N)c(C)c1
InChIInChI=1S/C27H26FN5O5S/c1-15(2)37-20-13-18(12-19(28)14-20)22-7-6-21(26(32-22)38-23-8-5-16(3)11-17(23)4)25(34)33-39(35,36)27-24(29)30-9-10-31-27/h5-15H,1-4H3,(H2,29,30)(H,33,34)
InChIKeyFRRRNVZUOSLKOW-UHFFFAOYSA-N
XLogP4.57
TPSA146.39 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500551.60
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

4-[3-Amino-6-[4-[cyclopropyl(methyl)sulfamoyl]phenyl]pyrazin-2-yl]-2-propan-2-yloxybenzamide
CID 68293540
Benzamide, 4-[2-(11-ethyl-6,11-dihydro-5-methyl-6-oxo-5H-dipyrido[2,3-e:3',2'-b][1,4]diazepin-8-yl)ethoxy]-3-methyl-N-(phenylsulfonyl)-
CID 3012422
N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2-pyridin-2-ylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 121250438
N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(oxetan-3-yloxy)pyridine-3-carboxamide
CID 121250445
N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(3-methylcyclopentyl)oxypyridine-3-carboxamide
CID 121250478
N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-fluorophenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
CID 121250492
N-[(6-amino-2-pyridinyl)sulfonyl]-6-(7-fluoro-1,3-benzodioxol-4-yl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
CID 121250494
N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-fluoro-4-methylphenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
CID 121250526
N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(oxan-4-ylmethoxy)pyridine-3-carboxamide
CID 121250541
N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2,3-difluorophenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
CID 121250616
N-[(6-amino-2-pyridinyl)sulfonyl]-2-cyclopentyloxy-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide
CID 121250629
N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-fluoro-4-phenylmethoxyphenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
CID 121250632

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopyrazin-2-yl)sulfonyl-2-(2,4-dimethylphenoxy)-6-(3-fluoro-5-propan-2-yloxyphenyl)pyridine-3-carboxamide?
The IUPAC name of N-(3-aminopyrazin-2-yl)sulfonyl-2-(2,4-dimethylphenoxy)-6-(3-fluoro-5-propan-2-yloxyphenyl)pyridine-3-carboxamide (CID 121250921) is N-(3-aminopyrazin-2-yl)sulfonyl-2-(2,4-dimethylphenoxy)-6-(3-fluoro-5-propan-2-yloxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-aminopyrazin-2-yl)sulfonyl-2-(2,4-dimethylphenoxy)-6-(3-fluoro-5-propan-2-yloxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for N-(3-aminopyrazin-2-yl)sulfonyl-2-(2,4-dimethylphenoxy)-6-(3-fluoro-5-propan-2-yloxyphenyl)pyridine-3-carboxamide is Cc1ccc(Oc2nc(-c3cc(F)cc(OC(C)C)c3)ccc2C(=O)NS(=O)(=O)c2nccnc2N)c(C)c1.
What is the InChIKey of N-(3-aminopyrazin-2-yl)sulfonyl-2-(2,4-dimethylphenoxy)-6-(3-fluoro-5-propan-2-yloxyphenyl)pyridine-3-carboxamide?
The InChIKey is FRRRNVZUOSLKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN5O5S/c1-15(2)37-20-13-18(12-19(28)14-20)22-7-6-21(26(32-22)38-23-8-5-16(3)11-17(23)4)25(34)33-39(35,36)27-24(29)30-9-10-31-27/h5-15H,1-4H3,(H2,29,30)(H,33,34).
What are the key properties of N-(3-aminopyrazin-2-yl)sulfonyl-2-(2,4-dimethylphenoxy)-6-(3-fluoro-5-propan-2-yloxyphenyl)pyridine-3-carboxamide?
N-(3-aminopyrazin-2-yl)sulfonyl-2-(2,4-dimethylphenoxy)-6-(3-fluoro-5-propan-2-yloxyphenyl)pyridine-3-carboxamide has a molecular weight of 551.60 g/mol, XLogP of 4.57, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopyrazin-2-yl)sulfonyl-2-(2,4-dimethylphenoxy)-6-(3-fluoro-5-propan-2-yloxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 121250921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).