3-[2-ethyl-6-methyl-4-[5-[5-methyl-6-[methyl(propan-2-yl)amino]-3-pyridinyl]-1,2,4-oxadiazol-3-yl]phenyl]-N-(2-hydroxyethyl)propanamide

C26H35N5O3 — CID 66935624

IUPAC3-[2-ethyl-6-methyl-4-[5-[5-methyl-6-[methyl(propan-2-yl)amino]-3-pyridinyl]-1,2,4-oxadiazol-3-yl]phenyl]-N-(2-hydroxyethyl)propanamide
SMILESCCc1cc(-c2noc(-c3cnc(N(C)C(C)C)c(C)c3)n2)cc(C)c1CCC(=O)NCCO
InChIInChI=1S/C26H35N5O3/c1-7-19-14-20(12-17(4)22(19)8-9-23(33)27-10-11-32)24-29-26(34-30-24)21-13-18(5)25(28-15-21)31(6)16(2)3/h12-16,32H,7-11H2,1-6H3,(H,27,33)
InChIKeyCTHSBYBKIQFAFM-UHFFFAOYSA-N
MW465.60 g/mol
LogP3.86
Rot. Bonds10

About 3-[2-ethyl-6-methyl-4-[5-[5-methyl-6-[methyl(propan-2-yl)amino]-3-pyridinyl]-1,2,4-oxadiazol-3-yl]phenyl]-N-(2-hydroxyethyl)propanamide

3-[2-ethyl-6-methyl-4-[5-[5-methyl-6-[methyl(propan-2-yl)amino]-3-pyridinyl]-1,2,4-oxadiazol-3-yl]phenyl]-N-(2-hydroxyethyl)propanamide (PubChem CID 66935624) has the molecular formula C26H35N5O3 and a molecular weight of 465.60 g/mol. Its IUPAC name is 3-[2-ethyl-6-methyl-4-[5-[5-methyl-6-[methyl(propan-2-yl)amino]-3-pyridinyl]-1,2,4-oxadiazol-3-yl]phenyl]-N-(2-hydroxyethyl)propanamide.

Molecular Properties

Compound Name3-[2-ethyl-6-methyl-4-[5-[5-methyl-6-[methyl(propan-2-yl)amino]-3-pyridinyl]-1,2,4-oxadiazol-3-yl]phenyl]-N-(2-hydroxyethyl)propanamide
PubChem CID66935624
Molecular FormulaC26H35N5O3
Molecular Weight465.60 g/mol
Exact Mass465.27
IUPAC Name3-[2-ethyl-6-methyl-4-[5-[5-methyl-6-[methyl(propan-2-yl)amino]-3-pyridinyl]-1,2,4-oxadiazol-3-yl]phenyl]-N-(2-hydroxyethyl)propanamide
SMILESCCc1cc(-c2noc(-c3cnc(N(C)C(C)C)c(C)c3)n2)cc(C)c1CCC(=O)NCCO
InChIInChI=1S/C26H35N5O3/c1-7-19-14-20(12-17(4)22(19)8-9-23(33)27-10-11-32)24-29-26(34-30-24)21-13-18(5)25(28-15-21)31(6)16(2)3/h12-16,32H,7-11H2,1-6H3,(H,27,33)
InChIKeyCTHSBYBKIQFAFM-UHFFFAOYSA-N
XLogP3.86
TPSA104.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.60
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[2-ethyl-6-methyl-4-[5-[5-methyl-6-[methyl(propan-2-yl)amino]-3-pyridinyl]-1,2,4-oxadiazol-3-yl]phenyl]-N-(2-hydroxyethyl)propanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[2-ethyl-6-methyl-4-[5-[5-methyl-6-[methyl(propan-2-yl)amino]-3-pyridinyl]-1,2,4-oxadiazol-3-yl]phenyl]-N-(2-hydroxyethyl)propanamide?
The IUPAC name of 3-[2-ethyl-6-methyl-4-[5-[5-methyl-6-[methyl(propan-2-yl)amino]-3-pyridinyl]-1,2,4-oxadiazol-3-yl]phenyl]-N-(2-hydroxyethyl)propanamide (CID 66935624) is 3-[2-ethyl-6-methyl-4-[5-[5-methyl-6-[methyl(propan-2-yl)amino]-3-pyridinyl]-1,2,4-oxadiazol-3-yl]phenyl]-N-(2-hydroxyethyl)propanamide.
What is the SMILES notation for 3-[2-ethyl-6-methyl-4-[5-[5-methyl-6-[methyl(propan-2-yl)amino]-3-pyridinyl]-1,2,4-oxadiazol-3-yl]phenyl]-N-(2-hydroxyethyl)propanamide?
The canonical SMILES for 3-[2-ethyl-6-methyl-4-[5-[5-methyl-6-[methyl(propan-2-yl)amino]-3-pyridinyl]-1,2,4-oxadiazol-3-yl]phenyl]-N-(2-hydroxyethyl)propanamide is CCc1cc(-c2noc(-c3cnc(N(C)C(C)C)c(C)c3)n2)cc(C)c1CCC(=O)NCCO.
What is the InChIKey of 3-[2-ethyl-6-methyl-4-[5-[5-methyl-6-[methyl(propan-2-yl)amino]-3-pyridinyl]-1,2,4-oxadiazol-3-yl]phenyl]-N-(2-hydroxyethyl)propanamide?
The InChIKey is CTHSBYBKIQFAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O3/c1-7-19-14-20(12-17(4)22(19)8-9-23(33)27-10-11-32)24-29-26(34-30-24)21-13-18(5)25(28-15-21)31(6)16(2)3/h12-16,32H,7-11H2,1-6H3,(H,27,33).
What are the key properties of 3-[2-ethyl-6-methyl-4-[5-[5-methyl-6-[methyl(propan-2-yl)amino]-3-pyridinyl]-1,2,4-oxadiazol-3-yl]phenyl]-N-(2-hydroxyethyl)propanamide?
3-[2-ethyl-6-methyl-4-[5-[5-methyl-6-[methyl(propan-2-yl)amino]-3-pyridinyl]-1,2,4-oxadiazol-3-yl]phenyl]-N-(2-hydroxyethyl)propanamide has a molecular weight of 465.60 g/mol, XLogP of 3.86, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-ethyl-6-methyl-4-[5-[5-methyl-6-[methyl(propan-2-yl)amino]-3-pyridinyl]-1,2,4-oxadiazol-3-yl]phenyl]-N-(2-hydroxyethyl)propanamide is sourced from PubChem (CID 66935624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).