(2R)-2-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]propanamide

C22H29N3O4 — CID 124742659

IUPAC(2R)-2-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]propanamide
SMILESC[C@H](C(=O)NCc1cccnc1OC1CCCC1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O
InChIInChI=1S/C22H29N3O4/c1-14(25-21(27)17-10-4-5-11-18(17)22(25)28)19(26)24-13-15-7-6-12-23-20(15)29-16-8-2-3-9-16/h6-7,12,14,16-18H,2-5,8-11,13H2,1H3,(H,24,26)/t14-,17-,18-/m1/s1
InChIKeyYEKOVALBLFTBDI-ZTFGCOKTSA-N
MW399.49 g/mol
LogP2.58
Rot. Bonds6

About (2R)-2-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]propanamide

(2R)-2-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]propanamide (PubChem CID 124742659) has the molecular formula C22H29N3O4 and a molecular weight of 399.49 g/mol. Its IUPAC name is (2R)-2-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]propanamide
PubChem CID124742659
Molecular FormulaC22H29N3O4
Molecular Weight399.49 g/mol
Exact Mass399.22
IUPAC Name(2R)-2-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]propanamide
SMILESC[C@H](C(=O)NCc1cccnc1OC1CCCC1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O
InChIInChI=1S/C22H29N3O4/c1-14(25-21(27)17-10-4-5-11-18(17)22(25)28)19(26)24-13-15-7-6-12-23-20(15)29-16-8-2-3-9-16/h6-7,12,14,16-18H,2-5,8-11,13H2,1H3,(H,24,26)/t14-,17-,18-/m1/s1
InChIKeyYEKOVALBLFTBDI-ZTFGCOKTSA-N
XLogP2.58
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze (2R)-2-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]propanamide with MolForge

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Related Compounds

(2R)-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide
CID 51942830
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-phenylsulfanylpropanamide
CID 46434537
(2S)-2-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[(2-chlorophenyl)methyl]propanamide
CID 7988265
(2S)-2-[(3aS,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[(2-chlorophenyl)methyl]propanamide
CID 7988266
N-[(2-cyclobutyloxy-3-pyridinyl)methyl]propan-2-amine
CID 62287341
1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 51084342
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2,3-dimethylbenzamide
CID 47029217
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-ethyl-4-oxophthalazine-1-carboxamide
CID 55659910
N-[2-[(2-cyclopentyloxy-3-pyridinyl)methylamino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 55659721
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]quinoline-5-carboxamide
CID 71896675
2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]acetamide
CID 78864061
1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-[(2S)-2-(2,3-dihydroindol-1-yl)propyl]urea
CID 38314037

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]propanamide?
The IUPAC name of (2R)-2-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]propanamide (CID 124742659) is (2R)-2-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]propanamide.
What is the SMILES notation for (2R)-2-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]propanamide?
The canonical SMILES for (2R)-2-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]propanamide is C[C@H](C(=O)NCc1cccnc1OC1CCCC1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O.
What is the InChIKey of (2R)-2-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]propanamide?
The InChIKey is YEKOVALBLFTBDI-ZTFGCOKTSA-N. The full InChI is InChI=1S/C22H29N3O4/c1-14(25-21(27)17-10-4-5-11-18(17)22(25)28)19(26)24-13-15-7-6-12-23-20(15)29-16-8-2-3-9-16/h6-7,12,14,16-18H,2-5,8-11,13H2,1H3,(H,24,26)/t14-,17-,18-/m1/s1.
What are the key properties of (2R)-2-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]propanamide?
(2R)-2-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]propanamide has a molecular weight of 399.49 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]propanamide is sourced from PubChem (CID 124742659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).