8-[4-[2-(4-ethylpiperazin-1-yl)ethyl]anilino]-6-[(4-ethyl-2-pyridinyl)amino]-2H-2,7-naphthyridin-1-one

C29H35N7O — CID 58166701

About 8-[4-[2-(4-ethylpiperazin-1-yl)ethyl]anilino]-6-[(4-ethyl-2-pyridinyl)amino]-2H-2,7-naphthyridin-1-one

8-[4-[2-(4-ethylpiperazin-1-yl)ethyl]anilino]-6-[(4-ethyl-2-pyridinyl)amino]-2H-2,7-naphthyridin-1-one (PubChem CID 58166701) has the molecular formula C29H35N7O and a molecular weight of 497.65 g/mol. Its IUPAC name is 8-[4-[2-(4-ethylpiperazin-1-yl)ethyl]anilino]-6-[(4-ethyl-2-pyridinyl)amino]-2H-2,7-naphthyridin-1-one.

Molecular Properties

• Compound Name: 8-[4-[2-(4-ethylpiperazin-1-yl)ethyl]anilino]-6-[(4-ethyl-2-pyridinyl)amino]-2H-2,7-naphthyridin-1-one
• PubChem CID: 58166701
• Molecular Formula: C29H35N7O
• Molecular Weight: 497.65 g/mol
• Exact Mass: 497.29
• IUPAC Name: 8-[4-[2-(4-ethylpiperazin-1-yl)ethyl]anilino]-6-[(4-ethyl-2-pyridinyl)amino]-2H-2,7-naphthyridin-1-one
• SMILES: CCc1ccnc(Nc2cc3cc[nH]c(=O)c3c(Nc3ccc(CCN4CCN(CC)CC4)cc3)n2)c1
• InChI: InChI=1S/C29H35N7O/c1-3-21-9-12-30-25(19-21)33-26-20-23-10-13-31-29(37)27(23)28(34-26)32-24-7-5-22(6-8-24)11-14-36-17-15-35(4-2)16-18-36/h5-10,12-13,19-20H,3-4,11,14-18H2,1-2H3,(H,31,37)(H2,30,32,33,34)
• InChIKey: YEOHOGWKMGAKDK-UHFFFAOYSA-N
• XLogP: 4.55
• TPSA: 89.18 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	497.65
LogP ≤ 5	4.55
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 8-[4-[2-(4-ethylpiperazin-1-yl)ethyl]anilino]-6-[(4-ethyl-2-pyridinyl)amino]-2H-2,7-naphthyridin-1-one?

The IUPAC name of 8-[4-[2-(4-ethylpiperazin-1-yl)ethyl]anilino]-6-[(4-ethyl-2-pyridinyl)amino]-2H-2,7-naphthyridin-1-one (CID 58166701) is 8-[4-[2-(4-ethylpiperazin-1-yl)ethyl]anilino]-6-[(4-ethyl-2-pyridinyl)amino]-2H-2,7-naphthyridin-1-one.

What is the SMILES notation for 8-[4-[2-(4-ethylpiperazin-1-yl)ethyl]anilino]-6-[(4-ethyl-2-pyridinyl)amino]-2H-2,7-naphthyridin-1-one?

The canonical SMILES for 8-[4-[2-(4-ethylpiperazin-1-yl)ethyl]anilino]-6-[(4-ethyl-2-pyridinyl)amino]-2H-2,7-naphthyridin-1-one is CCc1ccnc(Nc2cc3cc[nH]c(=O)c3c(Nc3ccc(CCN4CCN(CC)CC4)cc3)n2)c1.

What is the InChIKey of 8-[4-[2-(4-ethylpiperazin-1-yl)ethyl]anilino]-6-[(4-ethyl-2-pyridinyl)amino]-2H-2,7-naphthyridin-1-one?

The InChIKey is YEOHOGWKMGAKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N7O/c1-3-21-9-12-30-25(19-21)33-26-20-23-10-13-31-29(37)27(23)28(34-26)32-24-7-5-22(6-8-24)11-14-36-17-15-35(4-2)16-18-36/h5-10,12-13,19-20H,3-4,11,14-18H2,1-2H3,(H,31,37)(H2,30,32,33,34).

What are the key properties of 8-[4-[2-(4-ethylpiperazin-1-yl)ethyl]anilino]-6-[(4-ethyl-2-pyridinyl)amino]-2H-2,7-naphthyridin-1-one?

8-[4-[2-(4-ethylpiperazin-1-yl)ethyl]anilino]-6-[(4-ethyl-2-pyridinyl)amino]-2H-2,7-naphthyridin-1-one has a molecular weight of 497.65 g/mol, XLogP of 4.55, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[4-[2-(4-ethylpiperazin-1-yl)ethyl]anilino]-6-[(4-ethyl-2-pyridinyl)amino]-2H-2,7-naphthyridin-1-one is sourced from PubChem (CID 58166701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).