(5S)-5-(hydroxymethyl)-3-methoxypyrrolidin-2-one;3-methoxy-5-[[(2S)-4-methoxy-5-oxopyrrolidin-2-yl]methoxy]naphthalene-2-carboxamide

C24H31N3O8 — CID 158116727

IUPAC(5S)-5-(hydroxymethyl)-3-methoxypyrrolidin-2-one;3-methoxy-5-[[(2S)-4-methoxy-5-oxopyrrolidin-2-yl]methoxy]naphthalene-2-carboxamide
SMILESCOC1C[C@@H](CO)NC1=O.COc1cc2c(OC[C@@H]3CC(OC)C(=O)N3)cccc2cc1C(N)=O
InChIInChI=1S/C18H20N2O5.C6H11NO3/c1-23-15-8-12-10(6-13(15)17(19)21)4-3-5-14(12)25-9-11-7-16(24-2)18(22)20-11;1-10-5-2-4(3-8)7-6(5)9/h3-6,8,11,16H,7,9H2,1-2H3,(H2,19,21)(H,20,22);4-5,8H,2-3H2,1H3,(H,7,9)/t11-,16?;4-,5?/m00/s1
InChIKeyFRCGWPMNOZFUGV-ONADLUCNSA-N
MW489.53 g/mol
LogP0.11
Rot. Bonds8

About (5S)-5-(hydroxymethyl)-3-methoxypyrrolidin-2-one;3-methoxy-5-[[(2S)-4-methoxy-5-oxopyrrolidin-2-yl]methoxy]naphthalene-2-carboxamide

(5S)-5-(hydroxymethyl)-3-methoxypyrrolidin-2-one;3-methoxy-5-[[(2S)-4-methoxy-5-oxopyrrolidin-2-yl]methoxy]naphthalene-2-carboxamide (PubChem CID 158116727) has the molecular formula C24H31N3O8 and a molecular weight of 489.53 g/mol. Its IUPAC name is (5S)-5-(hydroxymethyl)-3-methoxypyrrolidin-2-one;3-methoxy-5-[[(2S)-4-methoxy-5-oxopyrrolidin-2-yl]methoxy]naphthalene-2-carboxamide.

Molecular Properties

Compound Name(5S)-5-(hydroxymethyl)-3-methoxypyrrolidin-2-one;3-methoxy-5-[[(2S)-4-methoxy-5-oxopyrrolidin-2-yl]methoxy]naphthalene-2-carboxamide
PubChem CID158116727
Molecular FormulaC24H31N3O8
Molecular Weight489.53 g/mol
Exact Mass489.21
IUPAC Name(5S)-5-(hydroxymethyl)-3-methoxypyrrolidin-2-one;3-methoxy-5-[[(2S)-4-methoxy-5-oxopyrrolidin-2-yl]methoxy]naphthalene-2-carboxamide
SMILESCOC1C[C@@H](CO)NC1=O.COc1cc2c(OC[C@@H]3CC(OC)C(=O)N3)cccc2cc1C(N)=O
InChIInChI=1S/C18H20N2O5.C6H11NO3/c1-23-15-8-12-10(6-13(15)17(19)21)4-3-5-14(12)25-9-11-7-16(24-2)18(22)20-11;1-10-5-2-4(3-8)7-6(5)9/h3-6,8,11,16H,7,9H2,1-2H3,(H2,19,21)(H,20,22);4-5,8H,2-3H2,1H3,(H,7,9)/t11-,16?;4-,5?/m00/s1
InChIKeyFRCGWPMNOZFUGV-ONADLUCNSA-N
XLogP0.11
TPSA158.44 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.53
LogP ≤ 50.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

7-methoxy-1-[[(2S,4S)-4-(oxetan-3-yl)-5-oxopyrrolidin-2-yl]methoxy]isoquinoline-6-carboxamide
CID 118414738
5-[2-[(2R,4S)-4-fluoro-4-methyl-5-oxopyrrolidin-2-yl]ethoxy]-3-methoxynaphthalene-2-carboxamide
CID 134214166
(5S)-5-[[6-[amino(hydroxy)methyl]-7-methoxynaphthalen-1-yl]oxymethyl]pyrrolidin-2-one
CID 167037248
7-methoxy-1-[[(2S,3S,4S)-4-methoxy-3-methyl-5-oxopyrrolidin-2-yl]methoxy]isoquinoline-6-carboxamide
CID 118414586
1-[[(2S,3R,4R)-3,4-dimethyl-5-oxopyrrolidin-2-yl]methoxy]-7-methoxyisoquinoline-6-carboxamide
CID 118414733
1-[2-[(2S)-4-benzyl-5-oxopyrrolidin-2-yl]ethoxy]-7-methoxyisoquinoline-6-carboxamide
CID 155351016
1-[[(2S,4R)-4-methyl-5-oxopyrrolidin-2-yl]methoxy]-7-propan-2-yloxyisoquinoline-6-carboxamide
CID 118414884
1-[[(2S,4S)-4-methyl-5-oxopyrrolidin-2-yl]methoxy]-7-propan-2-yloxyisoquinoline-6-carboxamide
CID 118414742
1-[[(4S)-4-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-7-methoxyisoquinoline-6-carboxamide
CID 166972613
1-[[(2S,3S)-4-fluoro-3-methyl-5-oxopyrrolidin-2-yl]methoxy]-7-methoxyisoquinoline-6-carboxamide
CID 155582589
1-[[(1S,2S,5R)-1-ethyl-4-oxo-3-azabicyclo[3.2.0]heptan-2-yl]methoxy]-7-methoxyisoquinoline-6-carboxamide
CID 134490809
1-[(4-ethyl-5-oxopyrrolidin-2-yl)methoxy]-7-propan-2-yloxyisoquinoline-6-carboxamide
CID 166972371

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(hydroxymethyl)-3-methoxypyrrolidin-2-one;3-methoxy-5-[[(2S)-4-methoxy-5-oxopyrrolidin-2-yl]methoxy]naphthalene-2-carboxamide?
The IUPAC name of (5S)-5-(hydroxymethyl)-3-methoxypyrrolidin-2-one;3-methoxy-5-[[(2S)-4-methoxy-5-oxopyrrolidin-2-yl]methoxy]naphthalene-2-carboxamide (CID 158116727) is (5S)-5-(hydroxymethyl)-3-methoxypyrrolidin-2-one;3-methoxy-5-[[(2S)-4-methoxy-5-oxopyrrolidin-2-yl]methoxy]naphthalene-2-carboxamide.
What is the SMILES notation for (5S)-5-(hydroxymethyl)-3-methoxypyrrolidin-2-one;3-methoxy-5-[[(2S)-4-methoxy-5-oxopyrrolidin-2-yl]methoxy]naphthalene-2-carboxamide?
The canonical SMILES for (5S)-5-(hydroxymethyl)-3-methoxypyrrolidin-2-one;3-methoxy-5-[[(2S)-4-methoxy-5-oxopyrrolidin-2-yl]methoxy]naphthalene-2-carboxamide is COC1C[C@@H](CO)NC1=O.COc1cc2c(OC[C@@H]3CC(OC)C(=O)N3)cccc2cc1C(N)=O.
What is the InChIKey of (5S)-5-(hydroxymethyl)-3-methoxypyrrolidin-2-one;3-methoxy-5-[[(2S)-4-methoxy-5-oxopyrrolidin-2-yl]methoxy]naphthalene-2-carboxamide?
The InChIKey is FRCGWPMNOZFUGV-ONADLUCNSA-N. The full InChI is InChI=1S/C18H20N2O5.C6H11NO3/c1-23-15-8-12-10(6-13(15)17(19)21)4-3-5-14(12)25-9-11-7-16(24-2)18(22)20-11;1-10-5-2-4(3-8)7-6(5)9/h3-6,8,11,16H,7,9H2,1-2H3,(H2,19,21)(H,20,22);4-5,8H,2-3H2,1H3,(H,7,9)/t11-,16?;4-,5?/m00/s1.
What are the key properties of (5S)-5-(hydroxymethyl)-3-methoxypyrrolidin-2-one;3-methoxy-5-[[(2S)-4-methoxy-5-oxopyrrolidin-2-yl]methoxy]naphthalene-2-carboxamide?
(5S)-5-(hydroxymethyl)-3-methoxypyrrolidin-2-one;3-methoxy-5-[[(2S)-4-methoxy-5-oxopyrrolidin-2-yl]methoxy]naphthalene-2-carboxamide has a molecular weight of 489.53 g/mol, XLogP of 0.11, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(hydroxymethyl)-3-methoxypyrrolidin-2-one;3-methoxy-5-[[(2S)-4-methoxy-5-oxopyrrolidin-2-yl]methoxy]naphthalene-2-carboxamide is sourced from PubChem (CID 158116727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).