2-[7-[(3R)-3-[[5-(2-cyclopropylethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-3-oxo-1H-isoindol-2-yl]-N,N-dimethylacetamide

C26H30N4O5 — CID 142797287

IUPAC2-[7-[(3R)-3-[[5-(2-cyclopropylethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-3-oxo-1H-isoindol-2-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1Cc2c(cccc2N2CC[C@@H](Oc3cncc(OCCC4CC4)c3)C2=O)C1=O
InChIInChI=1S/C26H30N4O5/c1-28(2)24(31)16-29-15-21-20(25(29)32)4-3-5-22(21)30-10-8-23(26(30)33)35-19-12-18(13-27-14-19)34-11-9-17-6-7-17/h3-5,12-14,17,23H,6-11,15-16H2,1-2H3/t23-/m1/s1
InChIKeyRKNYJHORWGBSBB-HSZRJFAPSA-N
MW478.55 g/mol
LogP2.49
Rot. Bonds9

About 2-[7-[(3R)-3-[[5-(2-cyclopropylethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-3-oxo-1H-isoindol-2-yl]-N,N-dimethylacetamide

2-[7-[(3R)-3-[[5-(2-cyclopropylethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-3-oxo-1H-isoindol-2-yl]-N,N-dimethylacetamide (PubChem CID 142797287) has the molecular formula C26H30N4O5 and a molecular weight of 478.55 g/mol. Its IUPAC name is 2-[7-[(3R)-3-[[5-(2-cyclopropylethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-3-oxo-1H-isoindol-2-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[7-[(3R)-3-[[5-(2-cyclopropylethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-3-oxo-1H-isoindol-2-yl]-N,N-dimethylacetamide
PubChem CID142797287
Molecular FormulaC26H30N4O5
Molecular Weight478.55 g/mol
Exact Mass478.22
IUPAC Name2-[7-[(3R)-3-[[5-(2-cyclopropylethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-3-oxo-1H-isoindol-2-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1Cc2c(cccc2N2CC[C@@H](Oc3cncc(OCCC4CC4)c3)C2=O)C1=O
InChIInChI=1S/C26H30N4O5/c1-28(2)24(31)16-29-15-21-20(25(29)32)4-3-5-22(21)30-10-8-23(26(30)33)35-19-12-18(13-27-14-19)34-11-9-17-6-7-17/h3-5,12-14,17,23H,6-11,15-16H2,1-2H3/t23-/m1/s1
InChIKeyRKNYJHORWGBSBB-HSZRJFAPSA-N
XLogP2.49
TPSA92.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.55
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[7-[(3R)-3-[[5-(2-cyclopropylethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-3-oxo-1H-isoindol-2-yl]-N,N-dimethylacetamide with MolForge

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Related Compounds

2-[5-[(3R)-3-[[6-(cyclopropylmethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-N,N-dimethylacetamide
CID 126482608
2-[3-[(3R)-3-[[6-(cyclopropylmethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]-N,N-dimethylacetamide
CID 118418329
6-[(3R)-3-[[6-(2-cyclopropylethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-4-fluoro-2-(2-oxobutyl)-3H-isoindol-1-one
CID 135190929
N,N-dimethyl-2-[3-oxo-5-[2-oxo-3-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]oxy]pyrrolidin-1-yl]-1H-isoindol-2-yl]acetamide
CID 123393220
N,N-dimethyl-2-[3-oxo-5-[2-oxo-3-[4-(1,2,4-triazol-1-yl)phenoxy]pyrrolidin-1-yl]-1H-isoindol-2-yl]acetamide
CID 135191081
(3R)-3-[[5-(cyclopropylmethoxy)-3-pyridinyl]oxy]-1-(1-methylbenzotriazol-5-yl)pyrrolidin-2-one
CID 142797289
N,N-dimethyl-2-[5-[(3R)-3-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenoxy]-2-oxopyrrolidin-1-yl]-3-oxo-1H-isoindol-2-yl]acetamide
CID 118418360
N,N-dimethyl-2-[5-[(3R)-3-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-2-oxopyrrolidin-1-yl]-3-oxo-1H-isoindol-2-yl]acetamide
CID 118418459
N,N-diethyl-2-[7-fluoro-3-oxo-5-[(3R)-2-oxo-3-[(6-propoxy-3-pyridinyl)oxy]pyrrolidin-1-yl]-1H-isoindol-2-yl]acetamide
CID 135191088
2-[5-[3-[[6-(cyclopropylmethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-3-oxo-1H-isoindol-2-yl]-N-(2-hydroxyethyl)-N-methylacetamide
CID 123440471
N,N-dimethyl-2-[3-oxo-5-[(3R)-2-oxo-3-[4-(2-propan-2-yl-4H-imidazol-5-yl)phenoxy]pyrrolidin-1-yl]-1H-isoindol-2-yl]acetamide
CID 135190935
(3R)-1-[4-(2-cyclopropylethoxy)-3-methoxyphenyl]-3-(4-phenylphenoxy)pyrrolidin-2-one
CID 144585819

Frequently Asked Questions

What is the IUPAC name of 2-[7-[(3R)-3-[[5-(2-cyclopropylethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-3-oxo-1H-isoindol-2-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[7-[(3R)-3-[[5-(2-cyclopropylethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-3-oxo-1H-isoindol-2-yl]-N,N-dimethylacetamide (CID 142797287) is 2-[7-[(3R)-3-[[5-(2-cyclopropylethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-3-oxo-1H-isoindol-2-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[7-[(3R)-3-[[5-(2-cyclopropylethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-3-oxo-1H-isoindol-2-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[7-[(3R)-3-[[5-(2-cyclopropylethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-3-oxo-1H-isoindol-2-yl]-N,N-dimethylacetamide is CN(C)C(=O)CN1Cc2c(cccc2N2CC[C@@H](Oc3cncc(OCCC4CC4)c3)C2=O)C1=O.
What is the InChIKey of 2-[7-[(3R)-3-[[5-(2-cyclopropylethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-3-oxo-1H-isoindol-2-yl]-N,N-dimethylacetamide?
The InChIKey is RKNYJHORWGBSBB-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H30N4O5/c1-28(2)24(31)16-29-15-21-20(25(29)32)4-3-5-22(21)30-10-8-23(26(30)33)35-19-12-18(13-27-14-19)34-11-9-17-6-7-17/h3-5,12-14,17,23H,6-11,15-16H2,1-2H3/t23-/m1/s1.
What are the key properties of 2-[7-[(3R)-3-[[5-(2-cyclopropylethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-3-oxo-1H-isoindol-2-yl]-N,N-dimethylacetamide?
2-[7-[(3R)-3-[[5-(2-cyclopropylethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-3-oxo-1H-isoindol-2-yl]-N,N-dimethylacetamide has a molecular weight of 478.55 g/mol, XLogP of 2.49, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-[(3R)-3-[[5-(2-cyclopropylethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-3-oxo-1H-isoindol-2-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 142797287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).