(2R)-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide

C24H27N3O4 — CID 51942830

IUPAC(2R)-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide
SMILESCC(C)[C@H](C(=O)NCc1cccnc1OC1CCCC1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C24H27N3O4/c1-15(2)20(27-23(29)18-11-5-6-12-19(18)24(27)30)21(28)26-14-16-8-7-13-25-22(16)31-17-9-3-4-10-17/h5-8,11-13,15,17,20H,3-4,9-10,14H2,1-2H3,(H,26,28)/t20-/m1/s1
InChIKeyUDGHIPXWFANIBV-HXUWFJFHSA-N
MW421.50 g/mol
LogP3.34
Rot. Bonds7

About (2R)-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide

(2R)-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide (PubChem CID 51942830) has the molecular formula C24H27N3O4 and a molecular weight of 421.50 g/mol. Its IUPAC name is (2R)-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide.

Molecular Properties

Compound Name(2R)-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide
PubChem CID51942830
Molecular FormulaC24H27N3O4
Molecular Weight421.50 g/mol
Exact Mass421.20
IUPAC Name(2R)-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide
SMILESCC(C)[C@H](C(=O)NCc1cccnc1OC1CCCC1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C24H27N3O4/c1-15(2)20(27-23(29)18-11-5-6-12-19(18)24(27)30)21(28)26-14-16-8-7-13-25-22(16)31-17-9-3-4-10-17/h5-8,11-13,15,17,20H,3-4,9-10,14H2,1-2H3,(H,26,28)/t20-/m1/s1
InChIKeyUDGHIPXWFANIBV-HXUWFJFHSA-N
XLogP3.34
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2R)-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide with MolForge

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Launch Full Analysis

Related Compounds

(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
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-phenylsulfanylpropanamide
CID 46434537
1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(2-methyl-1,3-dioxoisoindol-5-yl)urea
CID 51114936
N-[(2-cyclobutyloxy-3-pyridinyl)methyl]propan-2-amine
CID 62287341
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]-2-(1-phenylpyrazol-4-yl)acetamide
CID 47029191
1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 51084342
1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-[(2S)-2-(2,3-dihydroindol-1-yl)propyl]urea
CID 38314037
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2,3-dimethylbenzamide
CID 47029217
2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]acetamide
CID 78864061
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-4-methyl-6-methylsulfanyl-2-propan-2-ylpyrimidine-5-carboxamide
CID 78864064

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide?
The IUPAC name of (2R)-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide (CID 51942830) is (2R)-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide.
What is the SMILES notation for (2R)-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide?
The canonical SMILES for (2R)-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide is CC(C)[C@H](C(=O)NCc1cccnc1OC1CCCC1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of (2R)-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide?
The InChIKey is UDGHIPXWFANIBV-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H27N3O4/c1-15(2)20(27-23(29)18-11-5-6-12-19(18)24(27)30)21(28)26-14-16-8-7-13-25-22(16)31-17-9-3-4-10-17/h5-8,11-13,15,17,20H,3-4,9-10,14H2,1-2H3,(H,26,28)/t20-/m1/s1.
What are the key properties of (2R)-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide?
(2R)-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide has a molecular weight of 421.50 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide is sourced from PubChem (CID 51942830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).