(2R)-2-methyl-2-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]-N-(3-pyrrolidin-1-ylphenyl)pentanamide

C26H32N6O3 — CID 52511490

IUPAC(2R)-2-methyl-2-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]-N-(3-pyrrolidin-1-ylphenyl)pentanamide
SMILESCCC[C@@](C)(NC(=O)CCc1nc(-c2cccnc2)no1)C(=O)Nc1cccc(N2CCCC2)c1
InChIInChI=1S/C26H32N6O3/c1-3-13-26(2,25(34)28-20-9-6-10-21(17-20)32-15-4-5-16-32)30-22(33)11-12-23-29-24(31-35-23)19-8-7-14-27-18-19/h6-10,14,17-18H,3-5,11-13,15-16H2,1-2H3,(H,28,34)(H,30,33)/t26-/m1/s1
InChIKeyWXWOVFHJOPWXFY-AREMUKBSSA-N
MW476.58 g/mol
LogP3.98
Rot. Bonds10

About (2R)-2-methyl-2-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]-N-(3-pyrrolidin-1-ylphenyl)pentanamide

(2R)-2-methyl-2-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]-N-(3-pyrrolidin-1-ylphenyl)pentanamide (PubChem CID 52511490) has the molecular formula C26H32N6O3 and a molecular weight of 476.58 g/mol. Its IUPAC name is (2R)-2-methyl-2-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]-N-(3-pyrrolidin-1-ylphenyl)pentanamide.

Molecular Properties

Compound Name(2R)-2-methyl-2-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]-N-(3-pyrrolidin-1-ylphenyl)pentanamide
PubChem CID52511490
Molecular FormulaC26H32N6O3
Molecular Weight476.58 g/mol
Exact Mass476.25
IUPAC Name(2R)-2-methyl-2-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]-N-(3-pyrrolidin-1-ylphenyl)pentanamide
SMILESCCC[C@@](C)(NC(=O)CCc1nc(-c2cccnc2)no1)C(=O)Nc1cccc(N2CCCC2)c1
InChIInChI=1S/C26H32N6O3/c1-3-13-26(2,25(34)28-20-9-6-10-21(17-20)32-15-4-5-16-32)30-22(33)11-12-23-29-24(31-35-23)19-8-7-14-27-18-19/h6-10,14,17-18H,3-5,11-13,15-16H2,1-2H3,(H,28,34)(H,30,33)/t26-/m1/s1
InChIKeyWXWOVFHJOPWXFY-AREMUKBSSA-N
XLogP3.98
TPSA113.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.58
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 46492964
N-[4-(4-methylpiperazin-1-yl)phenyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 55622608
N-(4-morpholin-4-ylphenyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 17354680
N-(3-methoxyphenyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 51233747
methyl 3-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzoate
CID 16765520
N-(2,5-dimethylpyrazol-3-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 46472839
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 55625507
N-(4-acetylphenyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 16765512
4-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide
CID 51233758
2-methyl-2-[3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]pentanoic acid
CID 119191937
N-prop-2-ynyl-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 46471626
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 47043297

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-2-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]-N-(3-pyrrolidin-1-ylphenyl)pentanamide?
The IUPAC name of (2R)-2-methyl-2-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]-N-(3-pyrrolidin-1-ylphenyl)pentanamide (CID 52511490) is (2R)-2-methyl-2-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]-N-(3-pyrrolidin-1-ylphenyl)pentanamide.
What is the SMILES notation for (2R)-2-methyl-2-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]-N-(3-pyrrolidin-1-ylphenyl)pentanamide?
The canonical SMILES for (2R)-2-methyl-2-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]-N-(3-pyrrolidin-1-ylphenyl)pentanamide is CCC[C@@](C)(NC(=O)CCc1nc(-c2cccnc2)no1)C(=O)Nc1cccc(N2CCCC2)c1.
What is the InChIKey of (2R)-2-methyl-2-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]-N-(3-pyrrolidin-1-ylphenyl)pentanamide?
The InChIKey is WXWOVFHJOPWXFY-AREMUKBSSA-N. The full InChI is InChI=1S/C26H32N6O3/c1-3-13-26(2,25(34)28-20-9-6-10-21(17-20)32-15-4-5-16-32)30-22(33)11-12-23-29-24(31-35-23)19-8-7-14-27-18-19/h6-10,14,17-18H,3-5,11-13,15-16H2,1-2H3,(H,28,34)(H,30,33)/t26-/m1/s1.
What are the key properties of (2R)-2-methyl-2-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]-N-(3-pyrrolidin-1-ylphenyl)pentanamide?
(2R)-2-methyl-2-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]-N-(3-pyrrolidin-1-ylphenyl)pentanamide has a molecular weight of 476.58 g/mol, XLogP of 3.98, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-2-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]-N-(3-pyrrolidin-1-ylphenyl)pentanamide is sourced from PubChem (CID 52511490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).