N-[[4-[(2R)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide

C17H22N4OS — CID 124946273

IUPACN-[[4-[(2R)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
SMILESCC(=O)NCc1cc([C@H]2CCCN2Cc2csc(C)n2)ccn1
InChIInChI=1S/C17H22N4OS/c1-12(22)19-9-15-8-14(5-6-18-15)17-4-3-7-21(17)10-16-11-23-13(2)20-16/h5-6,8,11,17H,3-4,7,9-10H2,1-2H3,(H,19,22)/t17-/m1/s1
InChIKeyBWZVHVYPDJXLHL-QGZVFWFLSA-N
MW330.46 g/mol
LogP2.82
Rot. Bonds5

About N-[[4-[(2R)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide

N-[[4-[(2R)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide (PubChem CID 124946273) has the molecular formula C17H22N4OS and a molecular weight of 330.46 g/mol. Its IUPAC name is N-[[4-[(2R)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[4-[(2R)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
PubChem CID124946273
Molecular FormulaC17H22N4OS
Molecular Weight330.46 g/mol
Exact Mass330.15
IUPAC NameN-[[4-[(2R)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
SMILESCC(=O)NCc1cc([C@H]2CCCN2Cc2csc(C)n2)ccn1
InChIInChI=1S/C17H22N4OS/c1-12(22)19-9-15-8-14(5-6-18-15)17-4-3-7-21(17)10-16-11-23-13(2)20-16/h5-6,8,11,17H,3-4,7,9-10H2,1-2H3,(H,19,22)/t17-/m1/s1
InChIKeyBWZVHVYPDJXLHL-QGZVFWFLSA-N
XLogP2.82
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-[(2R)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide
CID 124958167
N-[[4-[(2S)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 124980798
N-[[4-[(2S)-1-(1H-imidazol-5-ylmethyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 124965035
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-[(2R)-1-[(2-ethoxyphenyl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 124960784
N-[[4-[(2S)-1-ethylsulfonylpyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 125013312
N-[[4-[(2R)-1-propan-2-ylpyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 124990507
N-[[4-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 110107927
N-[[4-[(2S)-1-(5-methylthiophene-2-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 124969908
N-[[4-[1-(pyrazine-2-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 110095597
N-[[2-[(2R)-1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide
CID 124966489

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2R)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide?
The IUPAC name of N-[[4-[(2R)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide (CID 124946273) is N-[[4-[(2R)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide.
What is the SMILES notation for N-[[4-[(2R)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide?
The canonical SMILES for N-[[4-[(2R)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide is CC(=O)NCc1cc([C@H]2CCCN2Cc2csc(C)n2)ccn1.
What is the InChIKey of N-[[4-[(2R)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide?
The InChIKey is BWZVHVYPDJXLHL-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H22N4OS/c1-12(22)19-9-15-8-14(5-6-18-15)17-4-3-7-21(17)10-16-11-23-13(2)20-16/h5-6,8,11,17H,3-4,7,9-10H2,1-2H3,(H,19,22)/t17-/m1/s1.
What are the key properties of N-[[4-[(2R)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide?
N-[[4-[(2R)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide has a molecular weight of 330.46 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2R)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide is sourced from PubChem (CID 124946273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).