N,N-dimethyl-5-[1-(3-pyridin-2-ylpropanoyl)pyrrolidin-2-yl]thiophene-2-carboxamide

C19H23N3O2S — CID 45197404

IUPACN,N-dimethyl-5-[1-(3-pyridin-2-ylpropanoyl)pyrrolidin-2-yl]thiophene-2-carboxamide
SMILESCN(C)C(=O)c1ccc(C2CCCN2C(=O)CCc2ccccn2)s1
InChIInChI=1S/C19H23N3O2S/c1-21(2)19(24)17-10-9-16(25-17)15-7-5-13-22(15)18(23)11-8-14-6-3-4-12-20-14/h3-4,6,9-10,12,15H,5,7-8,11,13H2,1-2H3
InChIKeyGFMUHMQKZINATF-UHFFFAOYSA-N
MW357.48 g/mol
LogP3.14
Rot. Bonds5

About N,N-dimethyl-5-[1-(3-pyridin-2-ylpropanoyl)pyrrolidin-2-yl]thiophene-2-carboxamide

N,N-dimethyl-5-[1-(3-pyridin-2-ylpropanoyl)pyrrolidin-2-yl]thiophene-2-carboxamide (PubChem CID 45197404) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is N,N-dimethyl-5-[1-(3-pyridin-2-ylpropanoyl)pyrrolidin-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-5-[1-(3-pyridin-2-ylpropanoyl)pyrrolidin-2-yl]thiophene-2-carboxamide
PubChem CID45197404
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC NameN,N-dimethyl-5-[1-(3-pyridin-2-ylpropanoyl)pyrrolidin-2-yl]thiophene-2-carboxamide
SMILESCN(C)C(=O)c1ccc(C2CCCN2C(=O)CCc2ccccn2)s1
InChIInChI=1S/C19H23N3O2S/c1-21(2)19(24)17-10-9-16(25-17)15-7-5-13-22(15)18(23)11-8-14-6-3-4-12-20-14/h3-4,6,9-10,12,15H,5,7-8,11,13H2,1-2H3
InChIKeyGFMUHMQKZINATF-UHFFFAOYSA-N
XLogP3.14
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2S)-1-(2-methoxyacetyl)pyrrolidin-2-yl]-N-methyl-N-(2-pyridin-2-ylethyl)thiophene-2-carboxamide
CID 30921699
(2S)-1-(3-pyridin-2-ylpropanoyl)pyrrolidine-2-carboxylic acid
CID 81453761
N-(furan-2-ylmethyl)-5-[(2R)-1-(2-pyridin-2-ylacetyl)pyrrolidin-2-yl]thiophene-2-carboxamide
CID 29184528
N-(1H-pyrazol-5-yl)-5-[1-(2-pyridin-2-ylacetyl)pyrrolidin-2-yl]thiophene-2-carboxamide
CID 45191304
1-[2-(aminomethyl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one
CID 81479420
1-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-4-pyridin-2-ylbutan-1-one
CID 95321611
1-[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-pyridin-2-ylpropan-1-one
CID 48997075
3-pyridin-2-yl-1-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)pyrrolidin-1-yl]propan-1-one
CID 56821908
N,N-dimethyl-5-[1-[3-(1,2,4-triazol-4-yl)benzoyl]pyrrolidin-2-yl]thiophene-2-carboxamide
CID 45210061
2-(dimethylamino)-1-(2-pyridin-2-ylpyrrolidin-1-yl)ethanone
CID 73440457
1-[2-(hydroxymethyl)azepan-1-yl]-3-pyridin-2-ylpropan-1-one
CID 116636366
1-[(4S)-4-[methyl(pyridin-2-ylmethyl)amino]azepan-1-yl]-3-pyridin-2-ylpropan-1-one
CID 129473864

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[1-(3-pyridin-2-ylpropanoyl)pyrrolidin-2-yl]thiophene-2-carboxamide?
The IUPAC name of N,N-dimethyl-5-[1-(3-pyridin-2-ylpropanoyl)pyrrolidin-2-yl]thiophene-2-carboxamide (CID 45197404) is N,N-dimethyl-5-[1-(3-pyridin-2-ylpropanoyl)pyrrolidin-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-5-[1-(3-pyridin-2-ylpropanoyl)pyrrolidin-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N,N-dimethyl-5-[1-(3-pyridin-2-ylpropanoyl)pyrrolidin-2-yl]thiophene-2-carboxamide is CN(C)C(=O)c1ccc(C2CCCN2C(=O)CCc2ccccn2)s1.
What is the InChIKey of N,N-dimethyl-5-[1-(3-pyridin-2-ylpropanoyl)pyrrolidin-2-yl]thiophene-2-carboxamide?
The InChIKey is GFMUHMQKZINATF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-21(2)19(24)17-10-9-16(25-17)15-7-5-13-22(15)18(23)11-8-14-6-3-4-12-20-14/h3-4,6,9-10,12,15H,5,7-8,11,13H2,1-2H3.
What are the key properties of N,N-dimethyl-5-[1-(3-pyridin-2-ylpropanoyl)pyrrolidin-2-yl]thiophene-2-carboxamide?
N,N-dimethyl-5-[1-(3-pyridin-2-ylpropanoyl)pyrrolidin-2-yl]thiophene-2-carboxamide has a molecular weight of 357.48 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[1-(3-pyridin-2-ylpropanoyl)pyrrolidin-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 45197404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).