7-[1-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]-6H-1,6-naphthyridin-5-one

C21H26N4O4 — CID 110224108

IUPAC7-[1-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]-6H-1,6-naphthyridin-5-one
SMILESCOCCN1CC(C(=O)N2CCC(c3cc4ncccc4c(=O)[nH]3)CC2)CC1=O
InChIInChI=1S/C21H26N4O4/c1-29-10-9-25-13-15(11-19(25)26)21(28)24-7-4-14(5-8-24)17-12-18-16(20(27)23-17)3-2-6-22-18/h2-3,6,12,14-15H,4-5,7-11,13H2,1H3,(H,23,27)
InChIKeyWYGNNTNTPCFUQU-UHFFFAOYSA-N
MW398.46 g/mol
LogP1.12
Rot. Bonds5

About 7-[1-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]-6H-1,6-naphthyridin-5-one

7-[1-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]-6H-1,6-naphthyridin-5-one (PubChem CID 110224108) has the molecular formula C21H26N4O4 and a molecular weight of 398.46 g/mol. Its IUPAC name is 7-[1-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]-6H-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name7-[1-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]-6H-1,6-naphthyridin-5-one
PubChem CID110224108
Molecular FormulaC21H26N4O4
Molecular Weight398.46 g/mol
Exact Mass398.20
IUPAC Name7-[1-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]-6H-1,6-naphthyridin-5-one
SMILESCOCCN1CC(C(=O)N2CCC(c3cc4ncccc4c(=O)[nH]3)CC2)CC1=O
InChIInChI=1S/C21H26N4O4/c1-29-10-9-25-13-15(11-19(25)26)21(28)24-7-4-14(5-8-24)17-12-18-16(20(27)23-17)3-2-6-22-18/h2-3,6,12,14-15H,4-5,7-11,13H2,1H3,(H,23,27)
InChIKeyWYGNNTNTPCFUQU-UHFFFAOYSA-N
XLogP1.12
TPSA95.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[1-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]-6H-1,6-naphthyridin-5-one?
The IUPAC name of 7-[1-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]-6H-1,6-naphthyridin-5-one (CID 110224108) is 7-[1-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]-6H-1,6-naphthyridin-5-one.
What is the SMILES notation for 7-[1-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]-6H-1,6-naphthyridin-5-one?
The canonical SMILES for 7-[1-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]-6H-1,6-naphthyridin-5-one is COCCN1CC(C(=O)N2CCC(c3cc4ncccc4c(=O)[nH]3)CC2)CC1=O.
What is the InChIKey of 7-[1-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]-6H-1,6-naphthyridin-5-one?
The InChIKey is WYGNNTNTPCFUQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4/c1-29-10-9-25-13-15(11-19(25)26)21(28)24-7-4-14(5-8-24)17-12-18-16(20(27)23-17)3-2-6-22-18/h2-3,6,12,14-15H,4-5,7-11,13H2,1H3,(H,23,27).
What are the key properties of 7-[1-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]-6H-1,6-naphthyridin-5-one?
7-[1-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]-6H-1,6-naphthyridin-5-one has a molecular weight of 398.46 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]-6H-1,6-naphthyridin-5-one is sourced from PubChem (CID 110224108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).