1-[3-[[6-(cyclopentylamino)-2-pyridinyl]methyl]pyrrolidin-1-yl]ethanone

C17H25N3O — CID 110090129

IUPAC1-[3-[[6-(cyclopentylamino)-2-pyridinyl]methyl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Cc2cccc(NC3CCCC3)n2)C1
InChIInChI=1S/C17H25N3O/c1-13(21)20-10-9-14(12-20)11-16-7-4-8-17(19-16)18-15-5-2-3-6-15/h4,7-8,14-15H,2-3,5-6,9-12H2,1H3,(H,18,19)
InChIKeyQDTRKSMVSRREIV-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.85
Rot. Bonds4

About 1-[3-[[6-(cyclopentylamino)-2-pyridinyl]methyl]pyrrolidin-1-yl]ethanone

1-[3-[[6-(cyclopentylamino)-2-pyridinyl]methyl]pyrrolidin-1-yl]ethanone (PubChem CID 110090129) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 1-[3-[[6-(cyclopentylamino)-2-pyridinyl]methyl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-[[6-(cyclopentylamino)-2-pyridinyl]methyl]pyrrolidin-1-yl]ethanone
PubChem CID110090129
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name1-[3-[[6-(cyclopentylamino)-2-pyridinyl]methyl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Cc2cccc(NC3CCCC3)n2)C1
InChIInChI=1S/C17H25N3O/c1-13(21)20-10-9-14(12-20)11-16-7-4-8-17(19-16)18-15-5-2-3-6-15/h4,7-8,14-15H,2-3,5-6,9-12H2,1H3,(H,18,19)
InChIKeyQDTRKSMVSRREIV-UHFFFAOYSA-N
XLogP2.85
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[[6-(cyclopentylamino)-2-pyridinyl]methyl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[3-[[6-(cyclopentylamino)-2-pyridinyl]methyl]pyrrolidin-1-yl]ethanone (CID 110090129) is 1-[3-[[6-(cyclopentylamino)-2-pyridinyl]methyl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-[[6-(cyclopentylamino)-2-pyridinyl]methyl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[3-[[6-(cyclopentylamino)-2-pyridinyl]methyl]pyrrolidin-1-yl]ethanone is CC(=O)N1CCC(Cc2cccc(NC3CCCC3)n2)C1.
What is the InChIKey of 1-[3-[[6-(cyclopentylamino)-2-pyridinyl]methyl]pyrrolidin-1-yl]ethanone?
The InChIKey is QDTRKSMVSRREIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-13(21)20-10-9-14(12-20)11-16-7-4-8-17(19-16)18-15-5-2-3-6-15/h4,7-8,14-15H,2-3,5-6,9-12H2,1H3,(H,18,19).
What are the key properties of 1-[3-[[6-(cyclopentylamino)-2-pyridinyl]methyl]pyrrolidin-1-yl]ethanone?
1-[3-[[6-(cyclopentylamino)-2-pyridinyl]methyl]pyrrolidin-1-yl]ethanone has a molecular weight of 287.41 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[6-(cyclopentylamino)-2-pyridinyl]methyl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 110090129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).