5-(5-ethoxypyrazin-2-yl)-N-[[4-[(1-fluorocyclopropyl)sulfonylamino]-2-pyridinyl]methyl]pyridine-2-carboxamide

C21H21FN6O4S — CID 167386378

IUPAC5-(5-ethoxypyrazin-2-yl)-N-[[4-[(1-fluorocyclopropyl)sulfonylamino]-2-pyridinyl]methyl]pyridine-2-carboxamide
SMILESCCOc1cnc(-c2ccc(C(=O)NCc3cc(NS(=O)(=O)C4(F)CC4)ccn3)nc2)cn1
InChIInChI=1S/C21H21FN6O4S/c1-2-32-19-13-25-18(12-26-19)14-3-4-17(24-10-14)20(29)27-11-16-9-15(5-8-23-16)28-33(30,31)21(22)6-7-21/h3-5,8-10,12-13H,2,6-7,11H2,1H3,(H,23,28)(H,27,29)
InChIKeySDKGCQSXAJCIKN-UHFFFAOYSA-N
MW472.50 g/mol
LogP2.46
Rot. Bonds9

About 5-(5-ethoxypyrazin-2-yl)-N-[[4-[(1-fluorocyclopropyl)sulfonylamino]-2-pyridinyl]methyl]pyridine-2-carboxamide

5-(5-ethoxypyrazin-2-yl)-N-[[4-[(1-fluorocyclopropyl)sulfonylamino]-2-pyridinyl]methyl]pyridine-2-carboxamide (PubChem CID 167386378) has the molecular formula C21H21FN6O4S and a molecular weight of 472.50 g/mol. Its IUPAC name is 5-(5-ethoxypyrazin-2-yl)-N-[[4-[(1-fluorocyclopropyl)sulfonylamino]-2-pyridinyl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(5-ethoxypyrazin-2-yl)-N-[[4-[(1-fluorocyclopropyl)sulfonylamino]-2-pyridinyl]methyl]pyridine-2-carboxamide
PubChem CID167386378
Molecular FormulaC21H21FN6O4S
Molecular Weight472.50 g/mol
Exact Mass472.13
IUPAC Name5-(5-ethoxypyrazin-2-yl)-N-[[4-[(1-fluorocyclopropyl)sulfonylamino]-2-pyridinyl]methyl]pyridine-2-carboxamide
SMILESCCOc1cnc(-c2ccc(C(=O)NCc3cc(NS(=O)(=O)C4(F)CC4)ccn3)nc2)cn1
InChIInChI=1S/C21H21FN6O4S/c1-2-32-19-13-25-18(12-26-19)14-3-4-17(24-10-14)20(29)27-11-16-9-15(5-8-23-16)28-33(30,31)21(22)6-7-21/h3-5,8-10,12-13H,2,6-7,11H2,1H3,(H,23,28)(H,27,29)
InChIKeySDKGCQSXAJCIKN-UHFFFAOYSA-N
XLogP2.46
TPSA136.06 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.50
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(5-ethoxypyrazin-2-yl)-N-[[4-[(1-fluorocyclopropyl)sulfonylamino]-2-pyridinyl]methyl]pyridine-2-carboxamide?
The IUPAC name of 5-(5-ethoxypyrazin-2-yl)-N-[[4-[(1-fluorocyclopropyl)sulfonylamino]-2-pyridinyl]methyl]pyridine-2-carboxamide (CID 167386378) is 5-(5-ethoxypyrazin-2-yl)-N-[[4-[(1-fluorocyclopropyl)sulfonylamino]-2-pyridinyl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-(5-ethoxypyrazin-2-yl)-N-[[4-[(1-fluorocyclopropyl)sulfonylamino]-2-pyridinyl]methyl]pyridine-2-carboxamide?
The canonical SMILES for 5-(5-ethoxypyrazin-2-yl)-N-[[4-[(1-fluorocyclopropyl)sulfonylamino]-2-pyridinyl]methyl]pyridine-2-carboxamide is CCOc1cnc(-c2ccc(C(=O)NCc3cc(NS(=O)(=O)C4(F)CC4)ccn3)nc2)cn1.
What is the InChIKey of 5-(5-ethoxypyrazin-2-yl)-N-[[4-[(1-fluorocyclopropyl)sulfonylamino]-2-pyridinyl]methyl]pyridine-2-carboxamide?
The InChIKey is SDKGCQSXAJCIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN6O4S/c1-2-32-19-13-25-18(12-26-19)14-3-4-17(24-10-14)20(29)27-11-16-9-15(5-8-23-16)28-33(30,31)21(22)6-7-21/h3-5,8-10,12-13H,2,6-7,11H2,1H3,(H,23,28)(H,27,29).
What are the key properties of 5-(5-ethoxypyrazin-2-yl)-N-[[4-[(1-fluorocyclopropyl)sulfonylamino]-2-pyridinyl]methyl]pyridine-2-carboxamide?
5-(5-ethoxypyrazin-2-yl)-N-[[4-[(1-fluorocyclopropyl)sulfonylamino]-2-pyridinyl]methyl]pyridine-2-carboxamide has a molecular weight of 472.50 g/mol, XLogP of 2.46, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-ethoxypyrazin-2-yl)-N-[[4-[(1-fluorocyclopropyl)sulfonylamino]-2-pyridinyl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 167386378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).