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N-[[4-(cyclopropylsulfonylamino)-1,3-thiazol-2-yl]methyl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide

C19H20N6O4S2 — CID 163271743

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[[4-(cyclopropylsulfonylamino)-1,3-thiazol-2-yl]methyl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide
SMILESCCOc1cncc(-c2ccc(C(=O)NCc3nc(NS(=O)(=O)C4CC4)cs3)nc2)n1
InChIInChI=1S/C19H20N6O4S2/c1-2-29-17-9-20-8-15(23-17)12-3-6-14(21-7-12)19(26)22-10-18-24-16(11-30-18)25-31(27,28)13-4-5-13/h3,6-9,11,13,25H,2,4-5,10H2,1H3,(H,22,26)
InChIKeyHGVRENKUPBAJHQ-UHFFFAOYSA-N
MW460.54 g/mol
LogP2.23
Rot. Bonds9

About N-[[4-(cyclopropylsulfonylamino)-1,3-thiazol-2-yl]methyl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide

N-[[4-(cyclopropylsulfonylamino)-1,3-thiazol-2-yl]methyl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide (PubChem CID 163271743) has the molecular formula C19H20N6O4S2 and a molecular weight of 460.54 g/mol. Its IUPAC name is N-[[4-(cyclopropylsulfonylamino)-1,3-thiazol-2-yl]methyl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(cyclopropylsulfonylamino)-1,3-thiazol-2-yl]methyl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide
PubChem CID163271743
Molecular FormulaC19H20N6O4S2
Molecular Weight460.54 g/mol
Exact Mass460.10
IUPAC NameN-[[4-(cyclopropylsulfonylamino)-1,3-thiazol-2-yl]methyl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide
SMILESCCOc1cncc(-c2ccc(C(=O)NCc3nc(NS(=O)(=O)C4CC4)cs3)nc2)n1
InChIInChI=1S/C19H20N6O4S2/c1-2-29-17-9-20-8-15(23-17)12-3-6-14(21-7-12)19(26)22-10-18-24-16(11-30-18)25-31(27,28)13-4-5-13/h3,6-9,11,13,25H,2,4-5,10H2,1H3,(H,22,26)
InChIKeyHGVRENKUPBAJHQ-UHFFFAOYSA-N
XLogP2.23
TPSA136.06 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.54
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(cyclopropylsulfonylamino)-1,3-thiazol-2-yl]methyl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide?
The IUPAC name of N-[[4-(cyclopropylsulfonylamino)-1,3-thiazol-2-yl]methyl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide (CID 163271743) is N-[[4-(cyclopropylsulfonylamino)-1,3-thiazol-2-yl]methyl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-[[4-(cyclopropylsulfonylamino)-1,3-thiazol-2-yl]methyl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide?
The canonical SMILES for N-[[4-(cyclopropylsulfonylamino)-1,3-thiazol-2-yl]methyl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide is CCOc1cncc(-c2ccc(C(=O)NCc3nc(NS(=O)(=O)C4CC4)cs3)nc2)n1.
What is the InChIKey of N-[[4-(cyclopropylsulfonylamino)-1,3-thiazol-2-yl]methyl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide?
The InChIKey is HGVRENKUPBAJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O4S2/c1-2-29-17-9-20-8-15(23-17)12-3-6-14(21-7-12)19(26)22-10-18-24-16(11-30-18)25-31(27,28)13-4-5-13/h3,6-9,11,13,25H,2,4-5,10H2,1H3,(H,22,26).
What are the key properties of N-[[4-(cyclopropylsulfonylamino)-1,3-thiazol-2-yl]methyl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide?
N-[[4-(cyclopropylsulfonylamino)-1,3-thiazol-2-yl]methyl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide has a molecular weight of 460.54 g/mol, XLogP of 2.23, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(cyclopropylsulfonylamino)-1,3-thiazol-2-yl]methyl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 163271743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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