3-(4-ethylpiperazine-1-carbonyl)-6-(furan-2-ylmethyl)-2-methyl-1,6-naphthyridin-5-one

C21H24N4O3 — CID 46339897

IUPAC3-(4-ethylpiperazine-1-carbonyl)-6-(furan-2-ylmethyl)-2-methyl-1,6-naphthyridin-5-one
SMILESCCN1CCN(C(=O)c2cc3c(=O)n(Cc4ccco4)ccc3nc2C)CC1
InChIInChI=1S/C21H24N4O3/c1-3-23-8-10-24(11-9-23)20(26)17-13-18-19(22-15(17)2)6-7-25(21(18)27)14-16-5-4-12-28-16/h4-7,12-13H,3,8-11,14H2,1-2H3
InChIKeyKNVSOZFDZBCBNL-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.12
Rot. Bonds4

About 3-(4-ethylpiperazine-1-carbonyl)-6-(furan-2-ylmethyl)-2-methyl-1,6-naphthyridin-5-one

3-(4-ethylpiperazine-1-carbonyl)-6-(furan-2-ylmethyl)-2-methyl-1,6-naphthyridin-5-one (PubChem CID 46339897) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 3-(4-ethylpiperazine-1-carbonyl)-6-(furan-2-ylmethyl)-2-methyl-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name3-(4-ethylpiperazine-1-carbonyl)-6-(furan-2-ylmethyl)-2-methyl-1,6-naphthyridin-5-one
PubChem CID46339897
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name3-(4-ethylpiperazine-1-carbonyl)-6-(furan-2-ylmethyl)-2-methyl-1,6-naphthyridin-5-one
SMILESCCN1CCN(C(=O)c2cc3c(=O)n(Cc4ccco4)ccc3nc2C)CC1
InChIInChI=1S/C21H24N4O3/c1-3-23-8-10-24(11-9-23)20(26)17-13-18-19(22-15(17)2)6-7-25(21(18)27)14-16-5-4-12-28-16/h4-7,12-13H,3,8-11,14H2,1-2H3
InChIKeyKNVSOZFDZBCBNL-UHFFFAOYSA-N
XLogP2.12
TPSA71.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylpiperazine-1-carbonyl)-6-(furan-2-ylmethyl)-2-methyl-1,6-naphthyridin-5-one?
The IUPAC name of 3-(4-ethylpiperazine-1-carbonyl)-6-(furan-2-ylmethyl)-2-methyl-1,6-naphthyridin-5-one (CID 46339897) is 3-(4-ethylpiperazine-1-carbonyl)-6-(furan-2-ylmethyl)-2-methyl-1,6-naphthyridin-5-one.
What is the SMILES notation for 3-(4-ethylpiperazine-1-carbonyl)-6-(furan-2-ylmethyl)-2-methyl-1,6-naphthyridin-5-one?
The canonical SMILES for 3-(4-ethylpiperazine-1-carbonyl)-6-(furan-2-ylmethyl)-2-methyl-1,6-naphthyridin-5-one is CCN1CCN(C(=O)c2cc3c(=O)n(Cc4ccco4)ccc3nc2C)CC1.
What is the InChIKey of 3-(4-ethylpiperazine-1-carbonyl)-6-(furan-2-ylmethyl)-2-methyl-1,6-naphthyridin-5-one?
The InChIKey is KNVSOZFDZBCBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-3-23-8-10-24(11-9-23)20(26)17-13-18-19(22-15(17)2)6-7-25(21(18)27)14-16-5-4-12-28-16/h4-7,12-13H,3,8-11,14H2,1-2H3.
What are the key properties of 3-(4-ethylpiperazine-1-carbonyl)-6-(furan-2-ylmethyl)-2-methyl-1,6-naphthyridin-5-one?
3-(4-ethylpiperazine-1-carbonyl)-6-(furan-2-ylmethyl)-2-methyl-1,6-naphthyridin-5-one has a molecular weight of 380.45 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylpiperazine-1-carbonyl)-6-(furan-2-ylmethyl)-2-methyl-1,6-naphthyridin-5-one is sourced from PubChem (CID 46339897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).