N-[(3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl)methyl]-N-methyl-2-thiophen-3-ylacetamide

C17H21N3O2S — CID 110124206

IUPACN-[(3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl)methyl]-N-methyl-2-thiophen-3-ylacetamide
SMILESCN(CC1(O)CCN(c2ccccn2)C1)C(=O)Cc1ccsc1
InChIInChI=1S/C17H21N3O2S/c1-19(16(21)10-14-5-9-23-11-14)12-17(22)6-8-20(13-17)15-4-2-3-7-18-15/h2-5,7,9,11,22H,6,8,10,12-13H2,1H3
InChIKeyFDFKLJJYUKWBFK-UHFFFAOYSA-N
MW331.44 g/mol
LogP1.79
Rot. Bonds5

About N-[(3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl)methyl]-N-methyl-2-thiophen-3-ylacetamide

N-[(3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl)methyl]-N-methyl-2-thiophen-3-ylacetamide (PubChem CID 110124206) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is N-[(3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl)methyl]-N-methyl-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-[(3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl)methyl]-N-methyl-2-thiophen-3-ylacetamide
PubChem CID110124206
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC NameN-[(3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl)methyl]-N-methyl-2-thiophen-3-ylacetamide
SMILESCN(CC1(O)CCN(c2ccccn2)C1)C(=O)Cc1ccsc1
InChIInChI=1S/C17H21N3O2S/c1-19(16(21)10-14-5-9-23-11-14)12-17(22)6-8-20(13-17)15-4-2-3-7-18-15/h2-5,7,9,11,22H,6,8,10,12-13H2,1H3
InChIKeyFDFKLJJYUKWBFK-UHFFFAOYSA-N
XLogP1.79
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3-Methyl-2-thienyl)carbonyl]-4-(2-pyridinyl)piperazine
CID 3283010
N-(4-methylpyridin-2-yl)-N-(thiophene-2-carbonyl)thiophene-2-carboxamide
CID 885495
N-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-thiophen-2-ylpropanamide
CID 40066826
N-{[2-(3-hydroxy-1-piperidinyl)-3-pyridinyl]methyl}-3-thiophenecarboxamide
CID 45209914
N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-3-methylthiophene-2-carboxamide
CID 45827633
N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-thiophen-2-ylacetamide
CID 47026748
N-(2-pyrrolidin-1-yl-3-pyridinyl)-3-thiophen-3-ylpropanamide
CID 47037140
1-(2-Hydroxyethyl)-3-(3-methyl-2-pyridinyl)-1-(thiophen-3-ylmethyl)urea
CID 49613997
N-methyl-N-(1-pyridin-2-ylpiperidin-4-yl)-2-thiophen-2-ylacetamide
CID 51103465
1-(4-{[8-(2-Pyridinyl)-1,8-diazaspiro[4.5]dec-1-yl]methyl}-2-thienyl)ethanone
CID 70743824
1-(1-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl)-2-thiophen-3-ylethanone
CID 97468897
1-[1-(cyclopropylmethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]-2-thiophen-3-ylethanone
CID 97469015

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl)methyl]-N-methyl-2-thiophen-3-ylacetamide?
The IUPAC name of N-[(3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl)methyl]-N-methyl-2-thiophen-3-ylacetamide (CID 110124206) is N-[(3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl)methyl]-N-methyl-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-[(3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl)methyl]-N-methyl-2-thiophen-3-ylacetamide?
The canonical SMILES for N-[(3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl)methyl]-N-methyl-2-thiophen-3-ylacetamide is CN(CC1(O)CCN(c2ccccn2)C1)C(=O)Cc1ccsc1.
What is the InChIKey of N-[(3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl)methyl]-N-methyl-2-thiophen-3-ylacetamide?
The InChIKey is FDFKLJJYUKWBFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-19(16(21)10-14-5-9-23-11-14)12-17(22)6-8-20(13-17)15-4-2-3-7-18-15/h2-5,7,9,11,22H,6,8,10,12-13H2,1H3.
What are the key properties of N-[(3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl)methyl]-N-methyl-2-thiophen-3-ylacetamide?
N-[(3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl)methyl]-N-methyl-2-thiophen-3-ylacetamide has a molecular weight of 331.44 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl)methyl]-N-methyl-2-thiophen-3-ylacetamide is sourced from PubChem (CID 110124206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).