(4aR,8aS)-6-[2-(2-hydroxy-4-oxoimidazolidin-1-yl)acetyl]-1-propyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one

C16H26N4O4 — CID 139474219

IUPAC(4aR,8aS)-6-[2-(2-hydroxy-4-oxoimidazolidin-1-yl)acetyl]-1-propyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
SMILESCCCN1C(=O)CC[C@@H]2CN(C(=O)CN3CC(=O)NC3O)CC[C@@H]21
InChIInChI=1S/C16H26N4O4/c1-2-6-20-12-5-7-18(8-11(12)3-4-14(20)22)15(23)10-19-9-13(21)17-16(19)24/h11-12,16,24H,2-10H2,1H3,(H,17,21)/t11-,12+,16?/m1/s1
InChIKeyLFQZYRJSGXZEQD-WWMUWCCSSA-N
MW338.41 g/mol
LogP-1.06
Rot. Bonds4

About (4aR,8aS)-6-[2-(2-hydroxy-4-oxoimidazolidin-1-yl)acetyl]-1-propyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one

(4aR,8aS)-6-[2-(2-hydroxy-4-oxoimidazolidin-1-yl)acetyl]-1-propyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one (PubChem CID 139474219) has the molecular formula C16H26N4O4 and a molecular weight of 338.41 g/mol. Its IUPAC name is (4aR,8aS)-6-[2-(2-hydroxy-4-oxoimidazolidin-1-yl)acetyl]-1-propyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name(4aR,8aS)-6-[2-(2-hydroxy-4-oxoimidazolidin-1-yl)acetyl]-1-propyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
PubChem CID139474219
Molecular FormulaC16H26N4O4
Molecular Weight338.41 g/mol
Exact Mass338.20
IUPAC Name(4aR,8aS)-6-[2-(2-hydroxy-4-oxoimidazolidin-1-yl)acetyl]-1-propyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
SMILESCCCN1C(=O)CC[C@@H]2CN(C(=O)CN3CC(=O)NC3O)CC[C@@H]21
InChIInChI=1S/C16H26N4O4/c1-2-6-20-12-5-7-18(8-11(12)3-4-14(20)22)15(23)10-19-9-13(21)17-16(19)24/h11-12,16,24H,2-10H2,1H3,(H,17,21)/t11-,12+,16?/m1/s1
InChIKeyLFQZYRJSGXZEQD-WWMUWCCSSA-N
XLogP-1.06
TPSA93.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 5-1.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (4aR,8aS)-6-[2-(2-hydroxy-4-oxoimidazolidin-1-yl)acetyl]-1-propyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4aR,8aS)-6-[2-(2-hydroxy-4-oxoimidazolidin-1-yl)acetyl]-1-propyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one?
The IUPAC name of (4aR,8aS)-6-[2-(2-hydroxy-4-oxoimidazolidin-1-yl)acetyl]-1-propyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one (CID 139474219) is (4aR,8aS)-6-[2-(2-hydroxy-4-oxoimidazolidin-1-yl)acetyl]-1-propyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one.
What is the SMILES notation for (4aR,8aS)-6-[2-(2-hydroxy-4-oxoimidazolidin-1-yl)acetyl]-1-propyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one?
The canonical SMILES for (4aR,8aS)-6-[2-(2-hydroxy-4-oxoimidazolidin-1-yl)acetyl]-1-propyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one is CCCN1C(=O)CC[C@@H]2CN(C(=O)CN3CC(=O)NC3O)CC[C@@H]21.
What is the InChIKey of (4aR,8aS)-6-[2-(2-hydroxy-4-oxoimidazolidin-1-yl)acetyl]-1-propyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one?
The InChIKey is LFQZYRJSGXZEQD-WWMUWCCSSA-N. The full InChI is InChI=1S/C16H26N4O4/c1-2-6-20-12-5-7-18(8-11(12)3-4-14(20)22)15(23)10-19-9-13(21)17-16(19)24/h11-12,16,24H,2-10H2,1H3,(H,17,21)/t11-,12+,16?/m1/s1.
What are the key properties of (4aR,8aS)-6-[2-(2-hydroxy-4-oxoimidazolidin-1-yl)acetyl]-1-propyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one?
(4aR,8aS)-6-[2-(2-hydroxy-4-oxoimidazolidin-1-yl)acetyl]-1-propyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one has a molecular weight of 338.41 g/mol, XLogP of -1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,8aS)-6-[2-(2-hydroxy-4-oxoimidazolidin-1-yl)acetyl]-1-propyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one is sourced from PubChem (CID 139474219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).