2-[3-[4-(6-methyl-2-pyridinyl)butylamino]cyclopentyl]-2,2-diphenylacetamide

C29H35N3O — CID 70300394

IUPAC2-[3-[4-(6-methyl-2-pyridinyl)butylamino]cyclopentyl]-2,2-diphenylacetamide
SMILESCc1cccc(CCCCNC2CCC(C(C(N)=O)(c3ccccc3)c3ccccc3)C2)n1
InChIInChI=1S/C29H35N3O/c1-22-11-10-17-26(32-22)16-8-9-20-31-27-19-18-25(21-27)29(28(30)33,23-12-4-2-5-13-23)24-14-6-3-7-15-24/h2-7,10-15,17,25,27,31H,8-9,16,18-21H2,1H3,(H2,30,33)
InChIKeyVMJUYFJGPQZNEF-UHFFFAOYSA-N
MW441.62 g/mol
LogP4.94
Rot. Bonds10

About 2-[3-[4-(6-methyl-2-pyridinyl)butylamino]cyclopentyl]-2,2-diphenylacetamide

2-[3-[4-(6-methyl-2-pyridinyl)butylamino]cyclopentyl]-2,2-diphenylacetamide (PubChem CID 70300394) has the molecular formula C29H35N3O and a molecular weight of 441.62 g/mol. Its IUPAC name is 2-[3-[4-(6-methyl-2-pyridinyl)butylamino]cyclopentyl]-2,2-diphenylacetamide.

Molecular Properties

Compound Name2-[3-[4-(6-methyl-2-pyridinyl)butylamino]cyclopentyl]-2,2-diphenylacetamide
PubChem CID70300394
Molecular FormulaC29H35N3O
Molecular Weight441.62 g/mol
Exact Mass441.28
IUPAC Name2-[3-[4-(6-methyl-2-pyridinyl)butylamino]cyclopentyl]-2,2-diphenylacetamide
SMILESCc1cccc(CCCCNC2CCC(C(C(N)=O)(c3ccccc3)c3ccccc3)C2)n1
InChIInChI=1S/C29H35N3O/c1-22-11-10-17-26(32-22)16-8-9-20-31-27-19-18-25(21-27)29(28(30)33,23-12-4-2-5-13-23)24-14-6-3-7-15-24/h2-7,10-15,17,25,27,31H,8-9,16,18-21H2,1H3,(H2,30,33)
InChIKeyVMJUYFJGPQZNEF-UHFFFAOYSA-N
XLogP4.94
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.62
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(6-methyl-2-pyridinyl)butylamino]cyclopentyl]-2,2-diphenylacetamide?
The IUPAC name of 2-[3-[4-(6-methyl-2-pyridinyl)butylamino]cyclopentyl]-2,2-diphenylacetamide (CID 70300394) is 2-[3-[4-(6-methyl-2-pyridinyl)butylamino]cyclopentyl]-2,2-diphenylacetamide.
What is the SMILES notation for 2-[3-[4-(6-methyl-2-pyridinyl)butylamino]cyclopentyl]-2,2-diphenylacetamide?
The canonical SMILES for 2-[3-[4-(6-methyl-2-pyridinyl)butylamino]cyclopentyl]-2,2-diphenylacetamide is Cc1cccc(CCCCNC2CCC(C(C(N)=O)(c3ccccc3)c3ccccc3)C2)n1.
What is the InChIKey of 2-[3-[4-(6-methyl-2-pyridinyl)butylamino]cyclopentyl]-2,2-diphenylacetamide?
The InChIKey is VMJUYFJGPQZNEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N3O/c1-22-11-10-17-26(32-22)16-8-9-20-31-27-19-18-25(21-27)29(28(30)33,23-12-4-2-5-13-23)24-14-6-3-7-15-24/h2-7,10-15,17,25,27,31H,8-9,16,18-21H2,1H3,(H2,30,33).
What are the key properties of 2-[3-[4-(6-methyl-2-pyridinyl)butylamino]cyclopentyl]-2,2-diphenylacetamide?
2-[3-[4-(6-methyl-2-pyridinyl)butylamino]cyclopentyl]-2,2-diphenylacetamide has a molecular weight of 441.62 g/mol, XLogP of 4.94, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(6-methyl-2-pyridinyl)butylamino]cyclopentyl]-2,2-diphenylacetamide is sourced from PubChem (CID 70300394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).