N-[[6-[(2R)-1-cyclohexylpyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide

C18H27N3O — CID 124964524

IUPACN-[[6-[(2R)-1-cyclohexylpyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
SMILESCC(=O)NCc1cccc([C@H]2CCCN2C2CCCCC2)n1
InChIInChI=1S/C18H27N3O/c1-14(22)19-13-15-7-5-10-17(20-15)18-11-6-12-21(18)16-8-3-2-4-9-16/h5,7,10,16,18H,2-4,6,8-9,11-13H2,1H3,(H,19,22)/t18-/m1/s1
InChIKeyHYBBTNURAWTHBO-GOSISDBHSA-N
MW301.43 g/mol
LogP3.19
Rot. Bonds4

About N-[[6-[(2R)-1-cyclohexylpyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide

N-[[6-[(2R)-1-cyclohexylpyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide (PubChem CID 124964524) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is N-[[6-[(2R)-1-cyclohexylpyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[6-[(2R)-1-cyclohexylpyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
PubChem CID124964524
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC NameN-[[6-[(2R)-1-cyclohexylpyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
SMILESCC(=O)NCc1cccc([C@H]2CCCN2C2CCCCC2)n1
InChIInChI=1S/C18H27N3O/c1-14(22)19-13-15-7-5-10-17(20-15)18-11-6-12-21(18)16-8-3-2-4-9-16/h5,7,10,16,18H,2-4,6,8-9,11-13H2,1H3,(H,19,22)/t18-/m1/s1
InChIKeyHYBBTNURAWTHBO-GOSISDBHSA-N
XLogP3.19
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[6-[(2S)-1-(2-cyclopentylacetyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 125024071
N-[[6-[1-(3-cyclohexylpropanoyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 110095780
N-[[6-[(2S)-1-(oxane-4-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 125019005
N-[[6-[(2R)-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide
CID 124959872
N-[[6-[(2R)-1-(diethylsulfamoyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 125003728
N-[[6-[(2S)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 125007878
N-[[2-[(2R)-1-(1-acetylpiperidin-4-yl)pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide
CID 124995728
N-[[6-[(2S)-1-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 124974894
2-[[2-[6-(acetamidomethyl)-2-pyridinyl]pyrrolidin-1-yl]methyl]benzoic acid
CID 110107808
N-[[6-[1-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 110095581
N-[[6-[1-(2-propan-2-ylpyrazole-3-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 110107822
6-[(2R)-1-cyclopentylpyrrolidin-2-yl]-N-methylpyridine-2-carboxamide
CID 124947086

Frequently Asked Questions

What is the IUPAC name of N-[[6-[(2R)-1-cyclohexylpyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide?
The IUPAC name of N-[[6-[(2R)-1-cyclohexylpyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide (CID 124964524) is N-[[6-[(2R)-1-cyclohexylpyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide.
What is the SMILES notation for N-[[6-[(2R)-1-cyclohexylpyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide?
The canonical SMILES for N-[[6-[(2R)-1-cyclohexylpyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide is CC(=O)NCc1cccc([C@H]2CCCN2C2CCCCC2)n1.
What is the InChIKey of N-[[6-[(2R)-1-cyclohexylpyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide?
The InChIKey is HYBBTNURAWTHBO-GOSISDBHSA-N. The full InChI is InChI=1S/C18H27N3O/c1-14(22)19-13-15-7-5-10-17(20-15)18-11-6-12-21(18)16-8-3-2-4-9-16/h5,7,10,16,18H,2-4,6,8-9,11-13H2,1H3,(H,19,22)/t18-/m1/s1.
What are the key properties of N-[[6-[(2R)-1-cyclohexylpyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide?
N-[[6-[(2R)-1-cyclohexylpyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide has a molecular weight of 301.43 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[(2R)-1-cyclohexylpyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide is sourced from PubChem (CID 124964524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).