N-[[6-[(2R)-1-(3-thiophen-2-ylpropanoyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide

C19H23N3O2S — CID 124963053

IUPACN-[[6-[(2R)-1-(3-thiophen-2-ylpropanoyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
SMILESCC(=O)NCc1cccc([C@H]2CCCN2C(=O)CCc2cccs2)n1
InChIInChI=1S/C19H23N3O2S/c1-14(23)20-13-15-5-2-7-17(21-15)18-8-3-11-22(18)19(24)10-9-16-6-4-12-25-16/h2,4-7,12,18H,3,8-11,13H2,1H3,(H,20,23)/t18-/m1/s1
InChIKeyHNHUKZDZKYHFIX-GOSISDBHSA-N
MW357.48 g/mol
LogP3.08
Rot. Bonds6

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

N-[[6-[(2R)-1-(3-thiophen-2-ylpropanoyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide (PubChem CID 124963053) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is N-[[6-[(2R)-1-(3-thiophen-2-ylpropanoyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[6-[(2R)-1-(3-thiophen-2-ylpropanoyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
PubChem CID124963053
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC NameN-[[6-[(2R)-1-(3-thiophen-2-ylpropanoyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
SMILESCC(=O)NCc1cccc([C@H]2CCCN2C(=O)CCc2cccs2)n1
InChIInChI=1S/C19H23N3O2S/c1-14(23)20-13-15-5-2-7-17(21-15)18-8-3-11-22(18)19(24)10-9-16-6-4-12-25-16/h2,4-7,12,18H,3,8-11,13H2,1H3,(H,20,23)/t18-/m1/s1
InChIKeyHNHUKZDZKYHFIX-GOSISDBHSA-N
XLogP3.08
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[6-[1-(3-cyclohexylpropanoyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 110095780
N-[[6-[(2S)-1-(2-cyclopentylacetyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 125024071
N-[[6-[(2S)-1-(oxane-4-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 125019005
N-[[6-[1-[2-(4-methylpyrazol-1-yl)acetyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 110107796
N-[[6-[(2S)-1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 125018598
N-[[6-[1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 110107821
N-[[4-[1-(2-thiophen-2-ylacetyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 110095732
N-[[6-[1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 110107823
N-[[6-[1-(2-methoxypyridine-3-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 110107813
N-[[6-[1-(2-propan-2-ylpyrazole-3-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 110107822
N-[[6-[(2R)-1-(1-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 124995506
6-[(2S)-1-(3-thiophen-2-ylpropanoyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one
CID 124985560

Frequently Asked Questions

What is the IUPAC name of N-[[6-[(2R)-1-(3-thiophen-2-ylpropanoyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide?
The IUPAC name of N-[[6-[(2R)-1-(3-thiophen-2-ylpropanoyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide (CID 124963053) is N-[[6-[(2R)-1-(3-thiophen-2-ylpropanoyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide.
What is the SMILES notation for N-[[6-[(2R)-1-(3-thiophen-2-ylpropanoyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide?
The canonical SMILES for N-[[6-[(2R)-1-(3-thiophen-2-ylpropanoyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide is CC(=O)NCc1cccc([C@H]2CCCN2C(=O)CCc2cccs2)n1.
What is the InChIKey of N-[[6-[(2R)-1-(3-thiophen-2-ylpropanoyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide?
The InChIKey is HNHUKZDZKYHFIX-GOSISDBHSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-14(23)20-13-15-5-2-7-17(21-15)18-8-3-11-22(18)19(24)10-9-16-6-4-12-25-16/h2,4-7,12,18H,3,8-11,13H2,1H3,(H,20,23)/t18-/m1/s1.
What are the key properties of N-[[6-[(2R)-1-(3-thiophen-2-ylpropanoyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide?
N-[[6-[(2R)-1-(3-thiophen-2-ylpropanoyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide has a molecular weight of 357.48 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[(2R)-1-(3-thiophen-2-ylpropanoyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide is sourced from PubChem (CID 124963053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).