2-[3-[methyl(pyridin-4-ylmethyl)amino]cyclopentyl]-2,2-diphenylacetamide

C26H29N3O — CID 70303045

IUPAC2-[3-[methyl(pyridin-4-ylmethyl)amino]cyclopentyl]-2,2-diphenylacetamide
SMILESCN(Cc1ccncc1)C1CCC(C(C(N)=O)(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C26H29N3O/c1-29(19-20-14-16-28-17-15-20)24-13-12-23(18-24)26(25(27)30,21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-11,14-17,23-24H,12-13,18-19H2,1H3,(H2,27,30)
InChIKeyWWUIQUYDHWLVQF-UHFFFAOYSA-N
MW399.54 g/mol
LogP4.15
Rot. Bonds7

About 2-[3-[methyl(pyridin-4-ylmethyl)amino]cyclopentyl]-2,2-diphenylacetamide

2-[3-[methyl(pyridin-4-ylmethyl)amino]cyclopentyl]-2,2-diphenylacetamide (PubChem CID 70303045) has the molecular formula C26H29N3O and a molecular weight of 399.54 g/mol. Its IUPAC name is 2-[3-[methyl(pyridin-4-ylmethyl)amino]cyclopentyl]-2,2-diphenylacetamide.

Molecular Properties

Compound Name2-[3-[methyl(pyridin-4-ylmethyl)amino]cyclopentyl]-2,2-diphenylacetamide
PubChem CID70303045
Molecular FormulaC26H29N3O
Molecular Weight399.54 g/mol
Exact Mass399.23
IUPAC Name2-[3-[methyl(pyridin-4-ylmethyl)amino]cyclopentyl]-2,2-diphenylacetamide
SMILESCN(Cc1ccncc1)C1CCC(C(C(N)=O)(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C26H29N3O/c1-29(19-20-14-16-28-17-15-20)24-13-12-23(18-24)26(25(27)30,21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-11,14-17,23-24H,12-13,18-19H2,1H3,(H2,27,30)
InChIKeyWWUIQUYDHWLVQF-UHFFFAOYSA-N
XLogP4.15
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[methyl(pyridin-4-ylmethyl)amino]cyclopentyl]-2,2-diphenylacetamide?
The IUPAC name of 2-[3-[methyl(pyridin-4-ylmethyl)amino]cyclopentyl]-2,2-diphenylacetamide (CID 70303045) is 2-[3-[methyl(pyridin-4-ylmethyl)amino]cyclopentyl]-2,2-diphenylacetamide.
What is the SMILES notation for 2-[3-[methyl(pyridin-4-ylmethyl)amino]cyclopentyl]-2,2-diphenylacetamide?
The canonical SMILES for 2-[3-[methyl(pyridin-4-ylmethyl)amino]cyclopentyl]-2,2-diphenylacetamide is CN(Cc1ccncc1)C1CCC(C(C(N)=O)(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of 2-[3-[methyl(pyridin-4-ylmethyl)amino]cyclopentyl]-2,2-diphenylacetamide?
The InChIKey is WWUIQUYDHWLVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O/c1-29(19-20-14-16-28-17-15-20)24-13-12-23(18-24)26(25(27)30,21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-11,14-17,23-24H,12-13,18-19H2,1H3,(H2,27,30).
What are the key properties of 2-[3-[methyl(pyridin-4-ylmethyl)amino]cyclopentyl]-2,2-diphenylacetamide?
2-[3-[methyl(pyridin-4-ylmethyl)amino]cyclopentyl]-2,2-diphenylacetamide has a molecular weight of 399.54 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[methyl(pyridin-4-ylmethyl)amino]cyclopentyl]-2,2-diphenylacetamide is sourced from PubChem (CID 70303045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).