3-ethyl-7-[[4-[6-(hydroxymethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one

C21H25N5O2 — CID 168889942

IUPAC3-ethyl-7-[[4-[6-(hydroxymethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one
SMILESCCc1cc2ncc(CN3CCN(c4cccc(CO)n4)CC3)cc2[nH]c1=O
InChIInChI=1S/C21H25N5O2/c1-2-16-11-18-19(24-21(16)28)10-15(12-22-18)13-25-6-8-26(9-7-25)20-5-3-4-17(14-27)23-20/h3-5,10-12,27H,2,6-9,13-14H2,1H3,(H,24,28)
InChIKeyIUSOLVMHNKQQBD-UHFFFAOYSA-N
MW379.46 g/mol
LogP1.70
Rot. Bonds5

About 3-ethyl-7-[[4-[6-(hydroxymethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one

3-ethyl-7-[[4-[6-(hydroxymethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one (PubChem CID 168889942) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 3-ethyl-7-[[4-[6-(hydroxymethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one.

Molecular Properties

Compound Name3-ethyl-7-[[4-[6-(hydroxymethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one
PubChem CID168889942
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name3-ethyl-7-[[4-[6-(hydroxymethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one
SMILESCCc1cc2ncc(CN3CCN(c4cccc(CO)n4)CC3)cc2[nH]c1=O
InChIInChI=1S/C21H25N5O2/c1-2-16-11-18-19(24-21(16)28)10-15(12-22-18)13-25-6-8-26(9-7-25)20-5-3-4-17(14-27)23-20/h3-5,10-12,27H,2,6-9,13-14H2,1H3,(H,24,28)
InChIKeyIUSOLVMHNKQQBD-UHFFFAOYSA-N
XLogP1.70
TPSA85.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-7-[[4-[6-(hydroxymethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one?
The IUPAC name of 3-ethyl-7-[[4-[6-(hydroxymethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one (CID 168889942) is 3-ethyl-7-[[4-[6-(hydroxymethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one.
What is the SMILES notation for 3-ethyl-7-[[4-[6-(hydroxymethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one?
The canonical SMILES for 3-ethyl-7-[[4-[6-(hydroxymethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one is CCc1cc2ncc(CN3CCN(c4cccc(CO)n4)CC3)cc2[nH]c1=O.
What is the InChIKey of 3-ethyl-7-[[4-[6-(hydroxymethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one?
The InChIKey is IUSOLVMHNKQQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-2-16-11-18-19(24-21(16)28)10-15(12-22-18)13-25-6-8-26(9-7-25)20-5-3-4-17(14-27)23-20/h3-5,10-12,27H,2,6-9,13-14H2,1H3,(H,24,28).
What are the key properties of 3-ethyl-7-[[4-[6-(hydroxymethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one?
3-ethyl-7-[[4-[6-(hydroxymethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one has a molecular weight of 379.46 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-7-[[4-[6-(hydroxymethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one is sourced from PubChem (CID 168889942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).