N-methyl-N-[2-(4-methylphenoxy)ethyl]-6-(1-pyridin-3-ylpropan-2-yl)-6-azaspiro[2.5]octane-2-carboxamide

C26H35N3O2 — CID 45245731

IUPACN-methyl-N-[2-(4-methylphenoxy)ethyl]-6-(1-pyridin-3-ylpropan-2-yl)-6-azaspiro[2.5]octane-2-carboxamide
SMILESCc1ccc(OCCN(C)C(=O)C2CC23CCN(C(C)Cc2cccnc2)CC3)cc1
InChIInChI=1S/C26H35N3O2/c1-20-6-8-23(9-7-20)31-16-15-28(3)25(30)24-18-26(24)10-13-29(14-11-26)21(2)17-22-5-4-12-27-19-22/h4-9,12,19,21,24H,10-11,13-18H2,1-3H3
InChIKeyGWORXNYQGUOQHR-UHFFFAOYSA-N
MW421.59 g/mol
LogP3.96
Rot. Bonds8

About N-methyl-N-[2-(4-methylphenoxy)ethyl]-6-(1-pyridin-3-ylpropan-2-yl)-6-azaspiro[2.5]octane-2-carboxamide

N-methyl-N-[2-(4-methylphenoxy)ethyl]-6-(1-pyridin-3-ylpropan-2-yl)-6-azaspiro[2.5]octane-2-carboxamide (PubChem CID 45245731) has the molecular formula C26H35N3O2 and a molecular weight of 421.59 g/mol. Its IUPAC name is N-methyl-N-[2-(4-methylphenoxy)ethyl]-6-(1-pyridin-3-ylpropan-2-yl)-6-azaspiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-(4-methylphenoxy)ethyl]-6-(1-pyridin-3-ylpropan-2-yl)-6-azaspiro[2.5]octane-2-carboxamide
PubChem CID45245731
Molecular FormulaC26H35N3O2
Molecular Weight421.59 g/mol
Exact Mass421.27
IUPAC NameN-methyl-N-[2-(4-methylphenoxy)ethyl]-6-(1-pyridin-3-ylpropan-2-yl)-6-azaspiro[2.5]octane-2-carboxamide
SMILESCc1ccc(OCCN(C)C(=O)C2CC23CCN(C(C)Cc2cccnc2)CC3)cc1
InChIInChI=1S/C26H35N3O2/c1-20-6-8-23(9-7-20)31-16-15-28(3)25(30)24-18-26(24)10-13-29(14-11-26)21(2)17-22-5-4-12-27-19-22/h4-9,12,19,21,24H,10-11,13-18H2,1-3H3
InChIKeyGWORXNYQGUOQHR-UHFFFAOYSA-N
XLogP3.96
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.59
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(4-methylphenoxy)ethyl]-6-(1-pyridin-3-ylpropan-2-yl)-6-azaspiro[2.5]octane-2-carboxamide?
The IUPAC name of N-methyl-N-[2-(4-methylphenoxy)ethyl]-6-(1-pyridin-3-ylpropan-2-yl)-6-azaspiro[2.5]octane-2-carboxamide (CID 45245731) is N-methyl-N-[2-(4-methylphenoxy)ethyl]-6-(1-pyridin-3-ylpropan-2-yl)-6-azaspiro[2.5]octane-2-carboxamide.
What is the SMILES notation for N-methyl-N-[2-(4-methylphenoxy)ethyl]-6-(1-pyridin-3-ylpropan-2-yl)-6-azaspiro[2.5]octane-2-carboxamide?
The canonical SMILES for N-methyl-N-[2-(4-methylphenoxy)ethyl]-6-(1-pyridin-3-ylpropan-2-yl)-6-azaspiro[2.5]octane-2-carboxamide is Cc1ccc(OCCN(C)C(=O)C2CC23CCN(C(C)Cc2cccnc2)CC3)cc1.
What is the InChIKey of N-methyl-N-[2-(4-methylphenoxy)ethyl]-6-(1-pyridin-3-ylpropan-2-yl)-6-azaspiro[2.5]octane-2-carboxamide?
The InChIKey is GWORXNYQGUOQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O2/c1-20-6-8-23(9-7-20)31-16-15-28(3)25(30)24-18-26(24)10-13-29(14-11-26)21(2)17-22-5-4-12-27-19-22/h4-9,12,19,21,24H,10-11,13-18H2,1-3H3.
What are the key properties of N-methyl-N-[2-(4-methylphenoxy)ethyl]-6-(1-pyridin-3-ylpropan-2-yl)-6-azaspiro[2.5]octane-2-carboxamide?
N-methyl-N-[2-(4-methylphenoxy)ethyl]-6-(1-pyridin-3-ylpropan-2-yl)-6-azaspiro[2.5]octane-2-carboxamide has a molecular weight of 421.59 g/mol, XLogP of 3.96, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(4-methylphenoxy)ethyl]-6-(1-pyridin-3-ylpropan-2-yl)-6-azaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 45245731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).