N-[(6-cyclopropylsulfonylpyrimidin-4-yl)methyl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide

C20H20N6O4S — CID 175474005

IUPACN-[(6-cyclopropylsulfonylpyrimidin-4-yl)methyl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide
SMILESCCOc1cncc(-c2ccc(C(=O)NCc3cc(S(=O)(=O)C4CC4)ncn3)nc2)n1
InChIInChI=1S/C20H20N6O4S/c1-2-30-18-11-21-10-17(26-18)13-3-6-16(22-8-13)20(27)23-9-14-7-19(25-12-24-14)31(28,29)15-4-5-15/h3,6-8,10-12,15H,2,4-5,9H2,1H3,(H,23,27)
InChIKeySMPKVDXCFHUTNL-UHFFFAOYSA-N
MW440.49 g/mol
LogP1.59
Rot. Bonds8

About N-[(6-cyclopropylsulfonylpyrimidin-4-yl)methyl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide

N-[(6-cyclopropylsulfonylpyrimidin-4-yl)methyl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide (PubChem CID 175474005) has the molecular formula C20H20N6O4S and a molecular weight of 440.49 g/mol. Its IUPAC name is N-[(6-cyclopropylsulfonylpyrimidin-4-yl)methyl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(6-cyclopropylsulfonylpyrimidin-4-yl)methyl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide
PubChem CID175474005
Molecular FormulaC20H20N6O4S
Molecular Weight440.49 g/mol
Exact Mass440.13
IUPAC NameN-[(6-cyclopropylsulfonylpyrimidin-4-yl)methyl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide
SMILESCCOc1cncc(-c2ccc(C(=O)NCc3cc(S(=O)(=O)C4CC4)ncn3)nc2)n1
InChIInChI=1S/C20H20N6O4S/c1-2-30-18-11-21-10-17(26-18)13-3-6-16(22-8-13)20(27)23-9-14-7-19(25-12-24-14)31(28,29)15-4-5-15/h3,6-8,10-12,15H,2,4-5,9H2,1H3,(H,23,27)
InChIKeySMPKVDXCFHUTNL-UHFFFAOYSA-N
XLogP1.59
TPSA136.92 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.49
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[(6-cyclopropylsulfonylpyrimidin-4-yl)methyl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide?
The IUPAC name of N-[(6-cyclopropylsulfonylpyrimidin-4-yl)methyl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide (CID 175474005) is N-[(6-cyclopropylsulfonylpyrimidin-4-yl)methyl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-[(6-cyclopropylsulfonylpyrimidin-4-yl)methyl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide?
The canonical SMILES for N-[(6-cyclopropylsulfonylpyrimidin-4-yl)methyl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide is CCOc1cncc(-c2ccc(C(=O)NCc3cc(S(=O)(=O)C4CC4)ncn3)nc2)n1.
What is the InChIKey of N-[(6-cyclopropylsulfonylpyrimidin-4-yl)methyl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide?
The InChIKey is SMPKVDXCFHUTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O4S/c1-2-30-18-11-21-10-17(26-18)13-3-6-16(22-8-13)20(27)23-9-14-7-19(25-12-24-14)31(28,29)15-4-5-15/h3,6-8,10-12,15H,2,4-5,9H2,1H3,(H,23,27).
What are the key properties of N-[(6-cyclopropylsulfonylpyrimidin-4-yl)methyl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide?
N-[(6-cyclopropylsulfonylpyrimidin-4-yl)methyl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide has a molecular weight of 440.49 g/mol, XLogP of 1.59, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-cyclopropylsulfonylpyrimidin-4-yl)methyl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 175474005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).