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

C18H21N3O2S — CID 124969908

IUPACN-[[4-[(2S)-1-(5-methylthiophene-2-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
SMILESCC(=O)NCc1cc([C@@H]2CCCN2C(=O)c2ccc(C)s2)ccn1
InChIInChI=1S/C18H21N3O2S/c1-12-5-6-17(24-12)18(23)21-9-3-4-16(21)14-7-8-19-15(10-14)11-20-13(2)22/h5-8,10,16H,3-4,9,11H2,1-2H3,(H,20,22)/t16-/m0/s1
InChIKeyJMCWVHWWMVLOTJ-INIZCTEOSA-N
MW343.45 g/mol
LogP3.06
Rot. Bonds4

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

N-[[4-[(2S)-1-(5-methylthiophene-2-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide (PubChem CID 124969908) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is N-[[4-[(2S)-1-(5-methylthiophene-2-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[4-[(2S)-1-(5-methylthiophene-2-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
PubChem CID124969908
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC NameN-[[4-[(2S)-1-(5-methylthiophene-2-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
SMILESCC(=O)NCc1cc([C@@H]2CCCN2C(=O)c2ccc(C)s2)ccn1
InChIInChI=1S/C18H21N3O2S/c1-12-5-6-17(24-12)18(23)21-9-3-4-16(21)14-7-8-19-15(10-14)11-20-13(2)22/h5-8,10,16H,3-4,9,11H2,1-2H3,(H,20,22)/t16-/m0/s1
InChIKeyJMCWVHWWMVLOTJ-INIZCTEOSA-N
XLogP3.06
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-[1-(1,3-dimethylpyrazole-4-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 110095748
N-[[4-[(2S)-1-(3-ethyl-1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 125010340
N-[[4-[(2S)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 124980798
N-[[4-[(2R)-1-[2-(2-methylphenyl)acetyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 124971837
N-[[4-[1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 110107915
N-[[4-[(2R)-1-propan-2-ylpyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 124990507
N-[[4-[1-[2-methyl-2-(1,2,4-triazol-1-yl)propanoyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 110107923
N-[[4-[1-(2-thiophen-2-ylacetyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 110095732
N-[[4-[(2S)-1-ethylsulfonylpyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 125013312
N-[[4-[(2R)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 124946273

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2S)-1-(5-methylthiophene-2-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide?
The IUPAC name of N-[[4-[(2S)-1-(5-methylthiophene-2-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide (CID 124969908) is N-[[4-[(2S)-1-(5-methylthiophene-2-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide.
What is the SMILES notation for N-[[4-[(2S)-1-(5-methylthiophene-2-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide?
The canonical SMILES for N-[[4-[(2S)-1-(5-methylthiophene-2-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide is CC(=O)NCc1cc([C@@H]2CCCN2C(=O)c2ccc(C)s2)ccn1.
What is the InChIKey of N-[[4-[(2S)-1-(5-methylthiophene-2-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide?
The InChIKey is JMCWVHWWMVLOTJ-INIZCTEOSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-12-5-6-17(24-12)18(23)21-9-3-4-16(21)14-7-8-19-15(10-14)11-20-13(2)22/h5-8,10,16H,3-4,9,11H2,1-2H3,(H,20,22)/t16-/m0/s1.
What are the key properties of N-[[4-[(2S)-1-(5-methylthiophene-2-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide?
N-[[4-[(2S)-1-(5-methylthiophene-2-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide has a molecular weight of 343.45 g/mol, XLogP of 3.06, 4 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-methylthiophene-2-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide is sourced from PubChem (CID 124969908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).