N-(2-cyanoethyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-3-ylmethyl)propanamide

C23H25N5O2 — CID 60609744

IUPACN-(2-cyanoethyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-3-ylmethyl)propanamide
SMILESCC(C)c1ccc(-c2noc(CCC(=O)N(CCC#N)Cc3cccnc3)n2)cc1
InChIInChI=1S/C23H25N5O2/c1-17(2)19-6-8-20(9-7-19)23-26-21(30-27-23)10-11-22(29)28(14-4-12-24)16-18-5-3-13-25-15-18/h3,5-9,13,15,17H,4,10-11,14,16H2,1-2H3
InChIKeyPVDCUGYVNTZBLF-UHFFFAOYSA-N
MW403.49 g/mol
LogP4.13
Rot. Bonds9

About N-(2-cyanoethyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-3-ylmethyl)propanamide

N-(2-cyanoethyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 60609744) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is N-(2-cyanoethyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-3-ylmethyl)propanamide
PubChem CID60609744
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC NameN-(2-cyanoethyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-3-ylmethyl)propanamide
SMILESCC(C)c1ccc(-c2noc(CCC(=O)N(CCC#N)Cc3cccnc3)n2)cc1
InChIInChI=1S/C23H25N5O2/c1-17(2)19-6-8-20(9-7-19)23-26-21(30-27-23)10-11-22(29)28(14-4-12-24)16-18-5-3-13-25-15-18/h3,5-9,13,15,17H,4,10-11,14,16H2,1-2H3
InChIKeyPVDCUGYVNTZBLF-UHFFFAOYSA-N
XLogP4.13
TPSA95.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)propanamide
CID 78835277
N-ethyl-N-[(3-fluorophenyl)methyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 55509879
N-benzyl-N-ethyl-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 53047532
3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)propanamide
CID 55982850
N-(2-phenylethyl)-N-(pyridin-3-ylmethyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 60558345
3-(4-chlorophenyl)sulfanyl-N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)propanamide
CID 78800494
N-methoxy-N-methyl-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 46577796
methyl 3-[2-methylpropyl-[3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]amino]propanoate
CID 55820741
3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(pyridin-3-ylmethyl)propanamide
CID 86822664
N,N-dibenzyl-3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100759699
N-(2-cyanoethyl)-3-phenothiazin-10-yl-N-(pyridin-3-ylmethyl)propanamide
CID 134013361
2-amino-N-(2-cyanoethyl)-3-methyl-N-(pyridin-3-ylmethyl)pentanamide
CID 43185872

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of N-(2-cyanoethyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-3-ylmethyl)propanamide (CID 60609744) is N-(2-cyanoethyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for N-(2-cyanoethyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for N-(2-cyanoethyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-3-ylmethyl)propanamide is CC(C)c1ccc(-c2noc(CCC(=O)N(CCC#N)Cc3cccnc3)n2)cc1.
What is the InChIKey of N-(2-cyanoethyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is PVDCUGYVNTZBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2/c1-17(2)19-6-8-20(9-7-19)23-26-21(30-27-23)10-11-22(29)28(14-4-12-24)16-18-5-3-13-25-15-18/h3,5-9,13,15,17H,4,10-11,14,16H2,1-2H3.
What are the key properties of N-(2-cyanoethyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-3-ylmethyl)propanamide?
N-(2-cyanoethyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 403.49 g/mol, XLogP of 4.13, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 60609744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).