6-(2-methyl-4-pyridinyl)-3-[4-(morpholin-4-ylmethyl)anilino]-5-(5-oxaspiro[2.5]octan-8-ylamino)pyrazine-2-carboxamide

C29H35N7O3 — CID 168769018

About 6-(2-methyl-4-pyridinyl)-3-[4-(morpholin-4-ylmethyl)anilino]-5-(5-oxaspiro[2.5]octan-8-ylamino)pyrazine-2-carboxamide

6-(2-methyl-4-pyridinyl)-3-[4-(morpholin-4-ylmethyl)anilino]-5-(5-oxaspiro[2.5]octan-8-ylamino)pyrazine-2-carboxamide (PubChem CID 168769018) has the molecular formula C29H35N7O3 and a molecular weight of 529.65 g/mol. Its IUPAC name is 6-(2-methyl-4-pyridinyl)-3-[4-(morpholin-4-ylmethyl)anilino]-5-(5-oxaspiro[2.5]octan-8-ylamino)pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: 6-(2-methyl-4-pyridinyl)-3-[4-(morpholin-4-ylmethyl)anilino]-5-(5-oxaspiro[2.5]octan-8-ylamino)pyrazine-2-carboxamide
• PubChem CID: 168769018
• Molecular Formula: C29H35N7O3
• Molecular Weight: 529.65 g/mol
• Exact Mass: 529.28
• IUPAC Name: 6-(2-methyl-4-pyridinyl)-3-[4-(morpholin-4-ylmethyl)anilino]-5-(5-oxaspiro[2.5]octan-8-ylamino)pyrazine-2-carboxamide
• SMILES: Cc1cc(-c2nc(C(N)=O)c(Nc3ccc(CN4CCOCC4)cc3)nc2NC2CCOCC23CC3)ccn1
• InChI: InChI=1S/C29H35N7O3/c1-19-16-21(6-10-31-19)24-27(33-23-7-13-39-18-29(23)8-9-29)35-28(25(34-24)26(30)37)32-22-4-2-20(3-5-22)17-36-11-14-38-15-12-36/h2-6,10,16,23H,7-9,11-15,17-18H2,1H3,(H2,30,37)(H2,32,33,35)
• InChIKey: DDTSQYOLGKZKNI-UHFFFAOYSA-N
• XLogP: 3.50
• TPSA: 127.52 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	529.65
LogP ≤ 5	3.50
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-(2-methyl-4-pyridinyl)-3-[4-(morpholin-4-ylmethyl)anilino]-5-(5-oxaspiro[2.5]octan-8-ylamino)pyrazine-2-carboxamide?

The IUPAC name of 6-(2-methyl-4-pyridinyl)-3-[4-(morpholin-4-ylmethyl)anilino]-5-(5-oxaspiro[2.5]octan-8-ylamino)pyrazine-2-carboxamide (CID 168769018) is 6-(2-methyl-4-pyridinyl)-3-[4-(morpholin-4-ylmethyl)anilino]-5-(5-oxaspiro[2.5]octan-8-ylamino)pyrazine-2-carboxamide.

What is the SMILES notation for 6-(2-methyl-4-pyridinyl)-3-[4-(morpholin-4-ylmethyl)anilino]-5-(5-oxaspiro[2.5]octan-8-ylamino)pyrazine-2-carboxamide?

The canonical SMILES for 6-(2-methyl-4-pyridinyl)-3-[4-(morpholin-4-ylmethyl)anilino]-5-(5-oxaspiro[2.5]octan-8-ylamino)pyrazine-2-carboxamide is Cc1cc(-c2nc(C(N)=O)c(Nc3ccc(CN4CCOCC4)cc3)nc2NC2CCOCC23CC3)ccn1.

What is the InChIKey of 6-(2-methyl-4-pyridinyl)-3-[4-(morpholin-4-ylmethyl)anilino]-5-(5-oxaspiro[2.5]octan-8-ylamino)pyrazine-2-carboxamide?

The InChIKey is DDTSQYOLGKZKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N7O3/c1-19-16-21(6-10-31-19)24-27(33-23-7-13-39-18-29(23)8-9-29)35-28(25(34-24)26(30)37)32-22-4-2-20(3-5-22)17-36-11-14-38-15-12-36/h2-6,10,16,23H,7-9,11-15,17-18H2,1H3,(H2,30,37)(H2,32,33,35).

What are the key properties of 6-(2-methyl-4-pyridinyl)-3-[4-(morpholin-4-ylmethyl)anilino]-5-(5-oxaspiro[2.5]octan-8-ylamino)pyrazine-2-carboxamide?

6-(2-methyl-4-pyridinyl)-3-[4-(morpholin-4-ylmethyl)anilino]-5-(5-oxaspiro[2.5]octan-8-ylamino)pyrazine-2-carboxamide has a molecular weight of 529.65 g/mol, XLogP of 3.50, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2-methyl-4-pyridinyl)-3-[4-(morpholin-4-ylmethyl)anilino]-5-(5-oxaspiro[2.5]octan-8-ylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 168769018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).