6-[(5-cyanopyrazin-2-yl)amino]-N-[4-(2-morpholin-4-ylethoxy)phenyl]-4-(piperidin-4-ylmethylamino)pyridine-3-carboxamide;ethane

C31H41N9O3 — CID 143784563

About 6-[(5-cyanopyrazin-2-yl)amino]-N-[4-(2-morpholin-4-ylethoxy)phenyl]-4-(piperidin-4-ylmethylamino)pyridine-3-carboxamide;ethane

6-[(5-cyanopyrazin-2-yl)amino]-N-[4-(2-morpholin-4-ylethoxy)phenyl]-4-(piperidin-4-ylmethylamino)pyridine-3-carboxamide;ethane (PubChem CID 143784563) has the molecular formula C31H41N9O3 and a molecular weight of 587.73 g/mol. Its IUPAC name is 6-[(5-cyanopyrazin-2-yl)amino]-N-[4-(2-morpholin-4-ylethoxy)phenyl]-4-(piperidin-4-ylmethylamino)pyridine-3-carboxamide;ethane.

Molecular Properties

• Compound Name: 6-[(5-cyanopyrazin-2-yl)amino]-N-[4-(2-morpholin-4-ylethoxy)phenyl]-4-(piperidin-4-ylmethylamino)pyridine-3-carboxamide;ethane
• PubChem CID: 143784563
• Molecular Formula: C31H41N9O3
• Molecular Weight: 587.73 g/mol
• Exact Mass: 587.33
• IUPAC Name: 6-[(5-cyanopyrazin-2-yl)amino]-N-[4-(2-morpholin-4-ylethoxy)phenyl]-4-(piperidin-4-ylmethylamino)pyridine-3-carboxamide;ethane
• SMILES: CC.N#Cc1cnc(Nc2cc(NCC3CCNCC3)c(C(=O)Nc3ccc(OCCN4CCOCC4)cc3)cn2)cn1
• InChI: InChI=1S/C29H35N9O3.C2H6/c30-16-23-18-34-28(20-32-23)37-27-15-26(33-17-21-5-7-31-8-6-21)25(19-35-27)29(39)36-22-1-3-24(4-2-22)41-14-11-38-9-12-40-13-10-38;1-2/h1-4,15,18-21,31H,5-14,17H2,(H,36,39)(H2,33,34,35,37);1-2H3
• InChIKey: FCGDQOUZIGFXBV-UHFFFAOYSA-N
• XLogP: 3.89
• TPSA: 149.35 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 11
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	587.73
LogP ≤ 5	3.89
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 6-[(5-cyanopyrazin-2-yl)amino]-N-[4-(2-morpholin-4-ylethoxy)phenyl]-4-(piperidin-4-ylmethylamino)pyridine-3-carboxamide;ethane?

The IUPAC name of 6-[(5-cyanopyrazin-2-yl)amino]-N-[4-(2-morpholin-4-ylethoxy)phenyl]-4-(piperidin-4-ylmethylamino)pyridine-3-carboxamide;ethane (CID 143784563) is 6-[(5-cyanopyrazin-2-yl)amino]-N-[4-(2-morpholin-4-ylethoxy)phenyl]-4-(piperidin-4-ylmethylamino)pyridine-3-carboxamide;ethane.

What is the SMILES notation for 6-[(5-cyanopyrazin-2-yl)amino]-N-[4-(2-morpholin-4-ylethoxy)phenyl]-4-(piperidin-4-ylmethylamino)pyridine-3-carboxamide;ethane?

The canonical SMILES for 6-[(5-cyanopyrazin-2-yl)amino]-N-[4-(2-morpholin-4-ylethoxy)phenyl]-4-(piperidin-4-ylmethylamino)pyridine-3-carboxamide;ethane is CC.N#Cc1cnc(Nc2cc(NCC3CCNCC3)c(C(=O)Nc3ccc(OCCN4CCOCC4)cc3)cn2)cn1.

What is the InChIKey of 6-[(5-cyanopyrazin-2-yl)amino]-N-[4-(2-morpholin-4-ylethoxy)phenyl]-4-(piperidin-4-ylmethylamino)pyridine-3-carboxamide;ethane?

The InChIKey is FCGDQOUZIGFXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N9O3.C2H6/c30-16-23-18-34-28(20-32-23)37-27-15-26(33-17-21-5-7-31-8-6-21)25(19-35-27)29(39)36-22-1-3-24(4-2-22)41-14-11-38-9-12-40-13-10-38;1-2/h1-4,15,18-21,31H,5-14,17H2,(H,36,39)(H2,33,34,35,37);1-2H3.

What are the key properties of 6-[(5-cyanopyrazin-2-yl)amino]-N-[4-(2-morpholin-4-ylethoxy)phenyl]-4-(piperidin-4-ylmethylamino)pyridine-3-carboxamide;ethane?

6-[(5-cyanopyrazin-2-yl)amino]-N-[4-(2-morpholin-4-ylethoxy)phenyl]-4-(piperidin-4-ylmethylamino)pyridine-3-carboxamide;ethane has a molecular weight of 587.73 g/mol, XLogP of 3.89, 11 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(5-cyanopyrazin-2-yl)amino]-N-[4-(2-morpholin-4-ylethoxy)phenyl]-4-(piperidin-4-ylmethylamino)pyridine-3-carboxamide;ethane is sourced from PubChem (CID 143784563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).