N-[[2-[1-(3-methylthiophene-2-carbonyl)pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide

C17H20N4O2S — CID 110117255

IUPACN-[[2-[1-(3-methylthiophene-2-carbonyl)pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide
SMILESCC(=O)NCc1ccnc(C2CCCN2C(=O)c2sccc2C)n1
InChIInChI=1S/C17H20N4O2S/c1-11-6-9-24-15(11)17(23)21-8-3-4-14(21)16-18-7-5-13(20-16)10-19-12(2)22/h5-7,9,14H,3-4,8,10H2,1-2H3,(H,19,22)
InChIKeyYCXLSXOXFHNJEB-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.46
Rot. Bonds4

About N-[[2-[1-(3-methylthiophene-2-carbonyl)pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide

N-[[2-[1-(3-methylthiophene-2-carbonyl)pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide (PubChem CID 110117255) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-[[2-[1-(3-methylthiophene-2-carbonyl)pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[2-[1-(3-methylthiophene-2-carbonyl)pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide
PubChem CID110117255
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC NameN-[[2-[1-(3-methylthiophene-2-carbonyl)pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide
SMILESCC(=O)NCc1ccnc(C2CCCN2C(=O)c2sccc2C)n1
InChIInChI=1S/C17H20N4O2S/c1-11-6-9-24-15(11)17(23)21-8-3-4-14(21)16-18-7-5-13(20-16)10-19-12(2)22/h5-7,9,14H,3-4,8,10H2,1-2H3,(H,19,22)
InChIKeyYCXLSXOXFHNJEB-UHFFFAOYSA-N
XLogP2.46
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[2-[1-(3-methylthiophene-2-carbonyl)pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[2-[(2S)-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide
CID 124983833
N-[[2-[(2R)-1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide
CID 124966489
N-[[2-[(2R)-1-[2-(dimethylamino)acetyl]pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide
CID 124953617
N-[[2-[(2R)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide
CID 124958167
N-[[2-[(2R)-1-(1-acetylpiperidin-4-yl)pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide
CID 124995728
N-[[4-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 110107927
[(2R)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 124946755
N-[[2-[(2R)-1-[(1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide
CID 124955181
N-[[4-[(2S)-1-(5-methylthiophene-2-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 124969908
N-[[6-[(2S)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 125007878
N-[[6-[(2R)-1-(1,3-dimethylpyrazole-4-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 125020730
N-[[2-[(2R)-1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide
CID 125025430

Frequently Asked Questions

What is the IUPAC name of N-[[2-[1-(3-methylthiophene-2-carbonyl)pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide?
The IUPAC name of N-[[2-[1-(3-methylthiophene-2-carbonyl)pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide (CID 110117255) is N-[[2-[1-(3-methylthiophene-2-carbonyl)pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[2-[1-(3-methylthiophene-2-carbonyl)pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[2-[1-(3-methylthiophene-2-carbonyl)pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide is CC(=O)NCc1ccnc(C2CCCN2C(=O)c2sccc2C)n1.
What is the InChIKey of N-[[2-[1-(3-methylthiophene-2-carbonyl)pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide?
The InChIKey is YCXLSXOXFHNJEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S/c1-11-6-9-24-15(11)17(23)21-8-3-4-14(21)16-18-7-5-13(20-16)10-19-12(2)22/h5-7,9,14H,3-4,8,10H2,1-2H3,(H,19,22).
What are the key properties of N-[[2-[1-(3-methylthiophene-2-carbonyl)pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide?
N-[[2-[1-(3-methylthiophene-2-carbonyl)pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide has a molecular weight of 344.44 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[1-(3-methylthiophene-2-carbonyl)pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide is sourced from PubChem (CID 110117255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).