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

C17H19N3O2 — CID 58071917

IUPAC(4R)-4-[(1R)-1-[(7-cyclopropyl-1,6-naphthyridin-5-yl)oxy]ethyl]pyrrolidin-2-one
SMILESC[C@@H](Oc1nc(C2CC2)cc2ncccc12)[C@H]1CNC(=O)C1
InChIInChI=1S/C17H19N3O2/c1-10(12-7-16(21)19-9-12)22-17-13-3-2-6-18-15(13)8-14(20-17)11-4-5-11/h2-3,6,8,10-12H,4-5,7,9H2,1H3,(H,19,21)/t10-,12-/m1/s1
InChIKeyPGNMRUSSCVWOOL-ZYHUDNBSSA-N
MW297.36 g/mol
LogP2.41
Rot. Bonds4

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

(4R)-4-[(1R)-1-[(7-cyclopropyl-1,6-naphthyridin-5-yl)oxy]ethyl]pyrrolidin-2-one (PubChem CID 58071917) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is (4R)-4-[(1R)-1-[(7-cyclopropyl-1,6-naphthyridin-5-yl)oxy]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(1R)-1-[(7-cyclopropyl-1,6-naphthyridin-5-yl)oxy]ethyl]pyrrolidin-2-one
PubChem CID58071917
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name(4R)-4-[(1R)-1-[(7-cyclopropyl-1,6-naphthyridin-5-yl)oxy]ethyl]pyrrolidin-2-one
SMILESC[C@@H](Oc1nc(C2CC2)cc2ncccc12)[C@H]1CNC(=O)C1
InChIInChI=1S/C17H19N3O2/c1-10(12-7-16(21)19-9-12)22-17-13-3-2-6-18-15(13)8-14(20-17)11-4-5-11/h2-3,6,8,10-12H,4-5,7,9H2,1H3,(H,19,21)/t10-,12-/m1/s1
InChIKeyPGNMRUSSCVWOOL-ZYHUDNBSSA-N
XLogP2.41
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(1R)-1-[(7-cyclopropyl-1,6-naphthyridin-5-yl)oxy]ethyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-[(1R)-1-[(7-cyclopropyl-1,6-naphthyridin-5-yl)oxy]ethyl]pyrrolidin-2-one (CID 58071917) is (4R)-4-[(1R)-1-[(7-cyclopropyl-1,6-naphthyridin-5-yl)oxy]ethyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[(1R)-1-[(7-cyclopropyl-1,6-naphthyridin-5-yl)oxy]ethyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[(1R)-1-[(7-cyclopropyl-1,6-naphthyridin-5-yl)oxy]ethyl]pyrrolidin-2-one is C[C@@H](Oc1nc(C2CC2)cc2ncccc12)[C@H]1CNC(=O)C1.
What is the InChIKey of (4R)-4-[(1R)-1-[(7-cyclopropyl-1,6-naphthyridin-5-yl)oxy]ethyl]pyrrolidin-2-one?
The InChIKey is PGNMRUSSCVWOOL-ZYHUDNBSSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-10(12-7-16(21)19-9-12)22-17-13-3-2-6-18-15(13)8-14(20-17)11-4-5-11/h2-3,6,8,10-12H,4-5,7,9H2,1H3,(H,19,21)/t10-,12-/m1/s1.
What are the key properties of (4R)-4-[(1R)-1-[(7-cyclopropyl-1,6-naphthyridin-5-yl)oxy]ethyl]pyrrolidin-2-one?
(4R)-4-[(1R)-1-[(7-cyclopropyl-1,6-naphthyridin-5-yl)oxy]ethyl]pyrrolidin-2-one has a molecular weight of 297.36 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(1R)-1-[(7-cyclopropyl-1,6-naphthyridin-5-yl)oxy]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 58071917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).