(4R)-4-[(1R)-1-[[7-(6-methoxy-3-pyridinyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one

C20H20N4O3 — CID 58071908

IUPAC(4R)-4-[(1R)-1-[[7-(6-methoxy-3-pyridinyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one
SMILESCOc1ccc(-c2cc3ncccc3c(O[C@H](C)[C@H]3CNC(=O)C3)n2)cn1
InChIInChI=1S/C20H20N4O3/c1-12(14-8-18(25)22-11-14)27-20-15-4-3-7-21-17(15)9-16(24-20)13-5-6-19(26-2)23-10-13/h3-7,9-10,12,14H,8,11H2,1-2H3,(H,22,25)/t12-,14-/m1/s1
InChIKeyHACNKVZFEWDXCA-TZMCWYRMSA-N
MW364.41 g/mol
LogP2.60
Rot. Bonds5

About (4R)-4-[(1R)-1-[[7-(6-methoxy-3-pyridinyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one

(4R)-4-[(1R)-1-[[7-(6-methoxy-3-pyridinyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one (PubChem CID 58071908) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is (4R)-4-[(1R)-1-[[7-(6-methoxy-3-pyridinyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(1R)-1-[[7-(6-methoxy-3-pyridinyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one
PubChem CID58071908
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name(4R)-4-[(1R)-1-[[7-(6-methoxy-3-pyridinyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one
SMILESCOc1ccc(-c2cc3ncccc3c(O[C@H](C)[C@H]3CNC(=O)C3)n2)cn1
InChIInChI=1S/C20H20N4O3/c1-12(14-8-18(25)22-11-14)27-20-15-4-3-7-21-17(15)9-16(24-20)13-5-6-19(26-2)23-10-13/h3-7,9-10,12,14H,8,11H2,1-2H3,(H,22,25)/t12-,14-/m1/s1
InChIKeyHACNKVZFEWDXCA-TZMCWYRMSA-N
XLogP2.60
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(1R)-1-[[7-(6-methoxy-3-pyridinyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-[(1R)-1-[[7-(6-methoxy-3-pyridinyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one (CID 58071908) is (4R)-4-[(1R)-1-[[7-(6-methoxy-3-pyridinyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[(1R)-1-[[7-(6-methoxy-3-pyridinyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[(1R)-1-[[7-(6-methoxy-3-pyridinyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one is COc1ccc(-c2cc3ncccc3c(O[C@H](C)[C@H]3CNC(=O)C3)n2)cn1.
What is the InChIKey of (4R)-4-[(1R)-1-[[7-(6-methoxy-3-pyridinyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one?
The InChIKey is HACNKVZFEWDXCA-TZMCWYRMSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-12(14-8-18(25)22-11-14)27-20-15-4-3-7-21-17(15)9-16(24-20)13-5-6-19(26-2)23-10-13/h3-7,9-10,12,14H,8,11H2,1-2H3,(H,22,25)/t12-,14-/m1/s1.
What are the key properties of (4R)-4-[(1R)-1-[[7-(6-methoxy-3-pyridinyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one?
(4R)-4-[(1R)-1-[[7-(6-methoxy-3-pyridinyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one has a molecular weight of 364.41 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(1R)-1-[[7-(6-methoxy-3-pyridinyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 58071908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).