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

C19H18N4O2 — CID 58072036

IUPAC(4R)-4-[(1R)-1-[(7-pyridin-2-yl-1,6-naphthyridin-5-yl)oxy]ethyl]pyrrolidin-2-one
SMILESC[C@@H](Oc1nc(-c2ccccn2)cc2ncccc12)[C@H]1CNC(=O)C1
InChIInChI=1S/C19H18N4O2/c1-12(13-9-18(24)22-11-13)25-19-14-5-4-8-21-16(14)10-17(23-19)15-6-2-3-7-20-15/h2-8,10,12-13H,9,11H2,1H3,(H,22,24)/t12-,13-/m1/s1
InChIKeyMAELDFAAOUSHBJ-CHWSQXEVSA-N
MW334.38 g/mol
LogP2.60
Rot. Bonds4

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

(4R)-4-[(1R)-1-[(7-pyridin-2-yl-1,6-naphthyridin-5-yl)oxy]ethyl]pyrrolidin-2-one (PubChem CID 58072036) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is (4R)-4-[(1R)-1-[(7-pyridin-2-yl-1,6-naphthyridin-5-yl)oxy]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(1R)-1-[(7-pyridin-2-yl-1,6-naphthyridin-5-yl)oxy]ethyl]pyrrolidin-2-one
PubChem CID58072036
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name(4R)-4-[(1R)-1-[(7-pyridin-2-yl-1,6-naphthyridin-5-yl)oxy]ethyl]pyrrolidin-2-one
SMILESC[C@@H](Oc1nc(-c2ccccn2)cc2ncccc12)[C@H]1CNC(=O)C1
InChIInChI=1S/C19H18N4O2/c1-12(13-9-18(24)22-11-13)25-19-14-5-4-8-21-16(14)10-17(23-19)15-6-2-3-7-20-15/h2-8,10,12-13H,9,11H2,1H3,(H,22,24)/t12-,13-/m1/s1
InChIKeyMAELDFAAOUSHBJ-CHWSQXEVSA-N
XLogP2.60
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(1R)-1-[(7-pyridin-2-yl-1,6-naphthyridin-5-yl)oxy]ethyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-[(1R)-1-[(7-pyridin-2-yl-1,6-naphthyridin-5-yl)oxy]ethyl]pyrrolidin-2-one (CID 58072036) is (4R)-4-[(1R)-1-[(7-pyridin-2-yl-1,6-naphthyridin-5-yl)oxy]ethyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[(1R)-1-[(7-pyridin-2-yl-1,6-naphthyridin-5-yl)oxy]ethyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[(1R)-1-[(7-pyridin-2-yl-1,6-naphthyridin-5-yl)oxy]ethyl]pyrrolidin-2-one is C[C@@H](Oc1nc(-c2ccccn2)cc2ncccc12)[C@H]1CNC(=O)C1.
What is the InChIKey of (4R)-4-[(1R)-1-[(7-pyridin-2-yl-1,6-naphthyridin-5-yl)oxy]ethyl]pyrrolidin-2-one?
The InChIKey is MAELDFAAOUSHBJ-CHWSQXEVSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-12(13-9-18(24)22-11-13)25-19-14-5-4-8-21-16(14)10-17(23-19)15-6-2-3-7-20-15/h2-8,10,12-13H,9,11H2,1H3,(H,22,24)/t12-,13-/m1/s1.
What are the key properties of (4R)-4-[(1R)-1-[(7-pyridin-2-yl-1,6-naphthyridin-5-yl)oxy]ethyl]pyrrolidin-2-one?
(4R)-4-[(1R)-1-[(7-pyridin-2-yl-1,6-naphthyridin-5-yl)oxy]ethyl]pyrrolidin-2-one has a molecular weight of 334.38 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(1R)-1-[(7-pyridin-2-yl-1,6-naphthyridin-5-yl)oxy]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 58072036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).