N-[[4-[(2S)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide

C18H23N3OS — CID 124980798

IUPACN-[[4-[(2S)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
SMILESCC(=O)NCc1cc([C@@H]2CCCN2Cc2ccc(C)s2)ccn1
InChIInChI=1S/C18H23N3OS/c1-13-5-6-17(23-13)12-21-9-3-4-18(21)15-7-8-19-16(10-15)11-20-14(2)22/h5-8,10,18H,3-4,9,11-12H2,1-2H3,(H,20,22)/t18-/m0/s1
InChIKeyMLLYUNGGVTVMKP-SFHVURJKSA-N
MW329.47 g/mol
LogP3.42
Rot. Bonds5

About N-[[4-[(2S)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide

N-[[4-[(2S)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide (PubChem CID 124980798) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is N-[[4-[(2S)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[4-[(2S)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
PubChem CID124980798
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC NameN-[[4-[(2S)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
SMILESCC(=O)NCc1cc([C@@H]2CCCN2Cc2ccc(C)s2)ccn1
InChIInChI=1S/C18H23N3OS/c1-13-5-6-17(23-13)12-21-9-3-4-18(21)15-7-8-19-16(10-15)11-20-14(2)22/h5-8,10,18H,3-4,9,11-12H2,1-2H3,(H,20,22)/t18-/m0/s1
InChIKeyMLLYUNGGVTVMKP-SFHVURJKSA-N
XLogP3.42
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-[(2R)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 124946273
N-[[4-[(2S)-1-(5-methylthiophene-2-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 124969908
N-[[4-[(2S)-1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 124986875
N-[[4-[1-[(2,4-difluorophenyl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 110095760
N-[[4-[(2S)-1-(1H-imidazol-5-ylmethyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 124965035
N-[[4-[(2R)-1-[(2-ethoxyphenyl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 124960784
N-[[4-[(2R)-1-propan-2-ylpyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 124990507
N-[[4-[(2S)-1-ethylsulfonylpyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 125013312
N-[[4-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 110107927
N-[[4-[1-(pyrazine-2-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 110095597
N-[[4-[(2R)-1-[2-(2-methylphenyl)acetyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 124971837
N-[[4-[(2S)-1-[[2-[(3-fluorophenyl)methoxy]phenyl]methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 124986856

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2S)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide?
The IUPAC name of N-[[4-[(2S)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide (CID 124980798) is N-[[4-[(2S)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide.
What is the SMILES notation for N-[[4-[(2S)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide?
The canonical SMILES for N-[[4-[(2S)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide is CC(=O)NCc1cc([C@@H]2CCCN2Cc2ccc(C)s2)ccn1.
What is the InChIKey of N-[[4-[(2S)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide?
The InChIKey is MLLYUNGGVTVMKP-SFHVURJKSA-N. The full InChI is InChI=1S/C18H23N3OS/c1-13-5-6-17(23-13)12-21-9-3-4-18(21)15-7-8-19-16(10-15)11-20-14(2)22/h5-8,10,18H,3-4,9,11-12H2,1-2H3,(H,20,22)/t18-/m0/s1.
What are the key properties of N-[[4-[(2S)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide?
N-[[4-[(2S)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide has a molecular weight of 329.47 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2S)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide is sourced from PubChem (CID 124980798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).