N-(2-fluoroethyl)-5-[(4-methylphenyl)sulfonylamino]-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide

C20H20FN5O4S — CID 23076041

IUPACN-(2-fluoroethyl)-5-[(4-methylphenyl)sulfonylamino]-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide
SMILESCc1ccc(S(=O)(=O)Nc2ncc(C(=O)NCCF)nc2OCc2cccnc2)cc1
InChIInChI=1S/C20H20FN5O4S/c1-14-4-6-16(7-5-14)31(28,29)26-18-20(30-13-15-3-2-9-22-11-15)25-17(12-24-18)19(27)23-10-8-21/h2-7,9,11-12H,8,10,13H2,1H3,(H,23,27)(H,24,26)
InChIKeyBERGKUJWGPEBDN-UHFFFAOYSA-N
MW445.48 g/mol
LogP2.26
Rot. Bonds9

About N-(2-fluoroethyl)-5-[(4-methylphenyl)sulfonylamino]-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide

N-(2-fluoroethyl)-5-[(4-methylphenyl)sulfonylamino]-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide (PubChem CID 23076041) has the molecular formula C20H20FN5O4S and a molecular weight of 445.48 g/mol. Its IUPAC name is N-(2-fluoroethyl)-5-[(4-methylphenyl)sulfonylamino]-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2-fluoroethyl)-5-[(4-methylphenyl)sulfonylamino]-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide
PubChem CID23076041
Molecular FormulaC20H20FN5O4S
Molecular Weight445.48 g/mol
Exact Mass445.12
IUPAC NameN-(2-fluoroethyl)-5-[(4-methylphenyl)sulfonylamino]-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide
SMILESCc1ccc(S(=O)(=O)Nc2ncc(C(=O)NCCF)nc2OCc2cccnc2)cc1
InChIInChI=1S/C20H20FN5O4S/c1-14-4-6-16(7-5-14)31(28,29)26-18-20(30-13-15-3-2-9-22-11-15)25-17(12-24-18)19(27)23-10-8-21/h2-7,9,11-12H,8,10,13H2,1H3,(H,23,27)(H,24,26)
InChIKeyBERGKUJWGPEBDN-UHFFFAOYSA-N
XLogP2.26
TPSA123.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.48
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-5-[(4-methylphenyl)sulfonylamino]-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide?
The IUPAC name of N-(2-fluoroethyl)-5-[(4-methylphenyl)sulfonylamino]-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide (CID 23076041) is N-(2-fluoroethyl)-5-[(4-methylphenyl)sulfonylamino]-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide.
What is the SMILES notation for N-(2-fluoroethyl)-5-[(4-methylphenyl)sulfonylamino]-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide?
The canonical SMILES for N-(2-fluoroethyl)-5-[(4-methylphenyl)sulfonylamino]-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide is Cc1ccc(S(=O)(=O)Nc2ncc(C(=O)NCCF)nc2OCc2cccnc2)cc1.
What is the InChIKey of N-(2-fluoroethyl)-5-[(4-methylphenyl)sulfonylamino]-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide?
The InChIKey is BERGKUJWGPEBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O4S/c1-14-4-6-16(7-5-14)31(28,29)26-18-20(30-13-15-3-2-9-22-11-15)25-17(12-24-18)19(27)23-10-8-21/h2-7,9,11-12H,8,10,13H2,1H3,(H,23,27)(H,24,26).
What are the key properties of N-(2-fluoroethyl)-5-[(4-methylphenyl)sulfonylamino]-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide?
N-(2-fluoroethyl)-5-[(4-methylphenyl)sulfonylamino]-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide has a molecular weight of 445.48 g/mol, XLogP of 2.26, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-5-[(4-methylphenyl)sulfonylamino]-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide is sourced from PubChem (CID 23076041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).