3-ethyl-7-[[4-[8-(methylamino)-1,5-naphthyridin-3-yl]piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one

C24H27N7O — CID 166082745

IUPAC3-ethyl-7-[[4-[8-(methylamino)-1,5-naphthyridin-3-yl]piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one
SMILESCCc1cc2ncc(CN3CCN(c4cnc5c(NC)ccnc5c4)CC3)cc2[nH]c1=O
InChIInChI=1S/C24H27N7O/c1-3-17-11-20-21(29-24(17)32)10-16(13-27-20)15-30-6-8-31(9-7-30)18-12-22-23(28-14-18)19(25-2)4-5-26-22/h4-5,10-14H,3,6-9,15H2,1-2H3,(H,25,26)(H,29,32)
InChIKeyXUBWWFLNKAWADV-UHFFFAOYSA-N
MW429.53 g/mol
LogP2.79
Rot. Bonds5

About 3-ethyl-7-[[4-[8-(methylamino)-1,5-naphthyridin-3-yl]piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one

3-ethyl-7-[[4-[8-(methylamino)-1,5-naphthyridin-3-yl]piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one (PubChem CID 166082745) has the molecular formula C24H27N7O and a molecular weight of 429.53 g/mol. Its IUPAC name is 3-ethyl-7-[[4-[8-(methylamino)-1,5-naphthyridin-3-yl]piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one.

Molecular Properties

Compound Name3-ethyl-7-[[4-[8-(methylamino)-1,5-naphthyridin-3-yl]piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one
PubChem CID166082745
Molecular FormulaC24H27N7O
Molecular Weight429.53 g/mol
Exact Mass429.23
IUPAC Name3-ethyl-7-[[4-[8-(methylamino)-1,5-naphthyridin-3-yl]piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one
SMILESCCc1cc2ncc(CN3CCN(c4cnc5c(NC)ccnc5c4)CC3)cc2[nH]c1=O
InChIInChI=1S/C24H27N7O/c1-3-17-11-20-21(29-24(17)32)10-16(13-27-20)15-30-6-8-31(9-7-30)18-12-22-23(28-14-18)19(25-2)4-5-26-22/h4-5,10-14H,3,6-9,15H2,1-2H3,(H,25,26)(H,29,32)
InChIKeyXUBWWFLNKAWADV-UHFFFAOYSA-N
XLogP2.79
TPSA90.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.53
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-7-[[4-[8-(methylamino)-1,5-naphthyridin-3-yl]piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one?
The IUPAC name of 3-ethyl-7-[[4-[8-(methylamino)-1,5-naphthyridin-3-yl]piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one (CID 166082745) is 3-ethyl-7-[[4-[8-(methylamino)-1,5-naphthyridin-3-yl]piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one.
What is the SMILES notation for 3-ethyl-7-[[4-[8-(methylamino)-1,5-naphthyridin-3-yl]piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one?
The canonical SMILES for 3-ethyl-7-[[4-[8-(methylamino)-1,5-naphthyridin-3-yl]piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one is CCc1cc2ncc(CN3CCN(c4cnc5c(NC)ccnc5c4)CC3)cc2[nH]c1=O.
What is the InChIKey of 3-ethyl-7-[[4-[8-(methylamino)-1,5-naphthyridin-3-yl]piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one?
The InChIKey is XUBWWFLNKAWADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O/c1-3-17-11-20-21(29-24(17)32)10-16(13-27-20)15-30-6-8-31(9-7-30)18-12-22-23(28-14-18)19(25-2)4-5-26-22/h4-5,10-14H,3,6-9,15H2,1-2H3,(H,25,26)(H,29,32).
What are the key properties of 3-ethyl-7-[[4-[8-(methylamino)-1,5-naphthyridin-3-yl]piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one?
3-ethyl-7-[[4-[8-(methylamino)-1,5-naphthyridin-3-yl]piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one has a molecular weight of 429.53 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-7-[[4-[8-(methylamino)-1,5-naphthyridin-3-yl]piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one is sourced from PubChem (CID 166082745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).