8-(tert-butylamino)-2-(2-hydroxyethyl)-6-[[4-(1-methoxyethyl)-2-pyridinyl]amino]-2,7-naphthyridin-1-one

C22H29N5O3 — CID 58166825

About 8-(tert-butylamino)-2-(2-hydroxyethyl)-6-[[4-(1-methoxyethyl)-2-pyridinyl]amino]-2,7-naphthyridin-1-one

8-(tert-butylamino)-2-(2-hydroxyethyl)-6-[[4-(1-methoxyethyl)-2-pyridinyl]amino]-2,7-naphthyridin-1-one (PubChem CID 58166825) has the molecular formula C22H29N5O3 and a molecular weight of 411.51 g/mol. Its IUPAC name is 8-(tert-butylamino)-2-(2-hydroxyethyl)-6-[[4-(1-methoxyethyl)-2-pyridinyl]amino]-2,7-naphthyridin-1-one.

Molecular Properties

• Compound Name: 8-(tert-butylamino)-2-(2-hydroxyethyl)-6-[[4-(1-methoxyethyl)-2-pyridinyl]amino]-2,7-naphthyridin-1-one
• PubChem CID: 58166825
• Molecular Formula: C22H29N5O3
• Molecular Weight: 411.51 g/mol
• Exact Mass: 411.23
• IUPAC Name: 8-(tert-butylamino)-2-(2-hydroxyethyl)-6-[[4-(1-methoxyethyl)-2-pyridinyl]amino]-2,7-naphthyridin-1-one
• SMILES: COC(C)c1ccnc(Nc2cc3ccn(CCO)c(=O)c3c(NC(C)(C)C)n2)c1
• InChI: InChI=1S/C22H29N5O3/c1-14(30-5)15-6-8-23-17(12-15)24-18-13-16-7-9-27(10-11-28)21(29)19(16)20(25-18)26-22(2,3)4/h6-9,12-14,28H,10-11H2,1-5H3,(H2,23,24,25,26)
• InChIKey: JKKOBCBBWDALDJ-UHFFFAOYSA-N
• XLogP: 3.45
• TPSA: 101.30 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.51
LogP ≤ 5	3.45
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 8-(tert-butylamino)-2-(2-hydroxyethyl)-6-[[4-(1-methoxyethyl)-2-pyridinyl]amino]-2,7-naphthyridin-1-one?

The IUPAC name of 8-(tert-butylamino)-2-(2-hydroxyethyl)-6-[[4-(1-methoxyethyl)-2-pyridinyl]amino]-2,7-naphthyridin-1-one (CID 58166825) is 8-(tert-butylamino)-2-(2-hydroxyethyl)-6-[[4-(1-methoxyethyl)-2-pyridinyl]amino]-2,7-naphthyridin-1-one.

What is the SMILES notation for 8-(tert-butylamino)-2-(2-hydroxyethyl)-6-[[4-(1-methoxyethyl)-2-pyridinyl]amino]-2,7-naphthyridin-1-one?

The canonical SMILES for 8-(tert-butylamino)-2-(2-hydroxyethyl)-6-[[4-(1-methoxyethyl)-2-pyridinyl]amino]-2,7-naphthyridin-1-one is COC(C)c1ccnc(Nc2cc3ccn(CCO)c(=O)c3c(NC(C)(C)C)n2)c1.

What is the InChIKey of 8-(tert-butylamino)-2-(2-hydroxyethyl)-6-[[4-(1-methoxyethyl)-2-pyridinyl]amino]-2,7-naphthyridin-1-one?

The InChIKey is JKKOBCBBWDALDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O3/c1-14(30-5)15-6-8-23-17(12-15)24-18-13-16-7-9-27(10-11-28)21(29)19(16)20(25-18)26-22(2,3)4/h6-9,12-14,28H,10-11H2,1-5H3,(H2,23,24,25,26).

What are the key properties of 8-(tert-butylamino)-2-(2-hydroxyethyl)-6-[[4-(1-methoxyethyl)-2-pyridinyl]amino]-2,7-naphthyridin-1-one?

8-(tert-butylamino)-2-(2-hydroxyethyl)-6-[[4-(1-methoxyethyl)-2-pyridinyl]amino]-2,7-naphthyridin-1-one has a molecular weight of 411.51 g/mol, XLogP of 3.45, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(tert-butylamino)-2-(2-hydroxyethyl)-6-[[4-(1-methoxyethyl)-2-pyridinyl]amino]-2,7-naphthyridin-1-one is sourced from PubChem (CID 58166825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).