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N-[[6-[1-(3-cyclohexylpropanoyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide

C21H31N3O2 — CID 110095780

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[[6-[1-(3-cyclohexylpropanoyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
SMILESCC(=O)NCc1cccc(C2CCCN2C(=O)CCC2CCCCC2)n1
InChIInChI=1S/C21H31N3O2/c1-16(25)22-15-18-9-5-10-19(23-18)20-11-6-14-24(20)21(26)13-12-17-7-3-2-4-8-17/h5,9-10,17,20H,2-4,6-8,11-15H2,1H3,(H,22,25)
InChIKeyJQIJYSKTCZXLAM-UHFFFAOYSA-N
MW357.50 g/mol
LogP3.74
Rot. Bonds6

About N-[[6-[1-(3-cyclohexylpropanoyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide

N-[[6-[1-(3-cyclohexylpropanoyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide (PubChem CID 110095780) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is N-[[6-[1-(3-cyclohexylpropanoyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[6-[1-(3-cyclohexylpropanoyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
PubChem CID110095780
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC NameN-[[6-[1-(3-cyclohexylpropanoyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
SMILESCC(=O)NCc1cccc(C2CCCN2C(=O)CCC2CCCCC2)n1
InChIInChI=1S/C21H31N3O2/c1-16(25)22-15-18-9-5-10-19(23-18)20-11-6-14-24(20)21(26)13-12-17-7-3-2-4-8-17/h5,9-10,17,20H,2-4,6-8,11-15H2,1H3,(H,22,25)
InChIKeyJQIJYSKTCZXLAM-UHFFFAOYSA-N
XLogP3.74
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[6-[1-(3-cyclohexylpropanoyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide?
The IUPAC name of N-[[6-[1-(3-cyclohexylpropanoyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide (CID 110095780) is N-[[6-[1-(3-cyclohexylpropanoyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide.
What is the SMILES notation for N-[[6-[1-(3-cyclohexylpropanoyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide?
The canonical SMILES for N-[[6-[1-(3-cyclohexylpropanoyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide is CC(=O)NCc1cccc(C2CCCN2C(=O)CCC2CCCCC2)n1.
What is the InChIKey of N-[[6-[1-(3-cyclohexylpropanoyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide?
The InChIKey is JQIJYSKTCZXLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2/c1-16(25)22-15-18-9-5-10-19(23-18)20-11-6-14-24(20)21(26)13-12-17-7-3-2-4-8-17/h5,9-10,17,20H,2-4,6-8,11-15H2,1H3,(H,22,25).
What are the key properties of N-[[6-[1-(3-cyclohexylpropanoyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide?
N-[[6-[1-(3-cyclohexylpropanoyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide has a molecular weight of 357.50 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[1-(3-cyclohexylpropanoyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide is sourced from PubChem (CID 110095780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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