6-[(5-cyanopyrazin-2-yl)amino]-N-(2-methoxyethyl)-4-(piperidin-4-ylmethylamino)pyridine-3-carboxamide

C20H26N8O2 — CID 59613342

IUPAC6-[(5-cyanopyrazin-2-yl)amino]-N-(2-methoxyethyl)-4-(piperidin-4-ylmethylamino)pyridine-3-carboxamide
SMILESCOCCNC(=O)c1cnc(Nc2cnc(C#N)cn2)cc1NCC1CCNCC1
InChIInChI=1S/C20H26N8O2/c1-30-7-6-23-20(29)16-12-27-18(28-19-13-24-15(9-21)11-26-19)8-17(16)25-10-14-2-4-22-5-3-14/h8,11-14,22H,2-7,10H2,1H3,(H,23,29)(H2,25,26,27,28)
InChIKeyIVWDKXIUNCHXOK-UHFFFAOYSA-N
MW410.48 g/mol
LogP1.27
Rot. Bonds9

About 6-[(5-cyanopyrazin-2-yl)amino]-N-(2-methoxyethyl)-4-(piperidin-4-ylmethylamino)pyridine-3-carboxamide

6-[(5-cyanopyrazin-2-yl)amino]-N-(2-methoxyethyl)-4-(piperidin-4-ylmethylamino)pyridine-3-carboxamide (PubChem CID 59613342) has the molecular formula C20H26N8O2 and a molecular weight of 410.48 g/mol. Its IUPAC name is 6-[(5-cyanopyrazin-2-yl)amino]-N-(2-methoxyethyl)-4-(piperidin-4-ylmethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(5-cyanopyrazin-2-yl)amino]-N-(2-methoxyethyl)-4-(piperidin-4-ylmethylamino)pyridine-3-carboxamide
PubChem CID59613342
Molecular FormulaC20H26N8O2
Molecular Weight410.48 g/mol
Exact Mass410.22
IUPAC Name6-[(5-cyanopyrazin-2-yl)amino]-N-(2-methoxyethyl)-4-(piperidin-4-ylmethylamino)pyridine-3-carboxamide
SMILESCOCCNC(=O)c1cnc(Nc2cnc(C#N)cn2)cc1NCC1CCNCC1
InChIInChI=1S/C20H26N8O2/c1-30-7-6-23-20(29)16-12-27-18(28-19-13-24-15(9-21)11-26-19)8-17(16)25-10-14-2-4-22-5-3-14/h8,11-14,22H,2-7,10H2,1H3,(H,23,29)(H2,25,26,27,28)
InChIKeyIVWDKXIUNCHXOK-UHFFFAOYSA-N
XLogP1.27
TPSA136.88 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 51.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[(5-cyanopyrazin-2-yl)amino]-N-(2-methoxyethyl)-4-(piperidin-4-ylmethylamino)pyridine-3-carboxamide?
The IUPAC name of 6-[(5-cyanopyrazin-2-yl)amino]-N-(2-methoxyethyl)-4-(piperidin-4-ylmethylamino)pyridine-3-carboxamide (CID 59613342) is 6-[(5-cyanopyrazin-2-yl)amino]-N-(2-methoxyethyl)-4-(piperidin-4-ylmethylamino)pyridine-3-carboxamide.
What is the SMILES notation for 6-[(5-cyanopyrazin-2-yl)amino]-N-(2-methoxyethyl)-4-(piperidin-4-ylmethylamino)pyridine-3-carboxamide?
The canonical SMILES for 6-[(5-cyanopyrazin-2-yl)amino]-N-(2-methoxyethyl)-4-(piperidin-4-ylmethylamino)pyridine-3-carboxamide is COCCNC(=O)c1cnc(Nc2cnc(C#N)cn2)cc1NCC1CCNCC1.
What is the InChIKey of 6-[(5-cyanopyrazin-2-yl)amino]-N-(2-methoxyethyl)-4-(piperidin-4-ylmethylamino)pyridine-3-carboxamide?
The InChIKey is IVWDKXIUNCHXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N8O2/c1-30-7-6-23-20(29)16-12-27-18(28-19-13-24-15(9-21)11-26-19)8-17(16)25-10-14-2-4-22-5-3-14/h8,11-14,22H,2-7,10H2,1H3,(H,23,29)(H2,25,26,27,28).
What are the key properties of 6-[(5-cyanopyrazin-2-yl)amino]-N-(2-methoxyethyl)-4-(piperidin-4-ylmethylamino)pyridine-3-carboxamide?
6-[(5-cyanopyrazin-2-yl)amino]-N-(2-methoxyethyl)-4-(piperidin-4-ylmethylamino)pyridine-3-carboxamide has a molecular weight of 410.48 g/mol, XLogP of 1.27, 9 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-cyanopyrazin-2-yl)amino]-N-(2-methoxyethyl)-4-(piperidin-4-ylmethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 59613342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).