3-(2,5-dimethylpyrrol-1-yl)-N-[(2R)-1-(furan-2-yl)propan-2-yl]thieno[2,3-b]pyridine-2-carboxamide

C21H21N3O2S — CID 92875757

IUPAC3-(2,5-dimethylpyrrol-1-yl)-N-[(2R)-1-(furan-2-yl)propan-2-yl]thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc(C)n1-c1c(C(=O)N[C@H](C)Cc2ccco2)sc2ncccc12
InChIInChI=1S/C21H21N3O2S/c1-13(12-16-6-5-11-26-16)23-20(25)19-18(24-14(2)8-9-15(24)3)17-7-4-10-22-21(17)27-19/h4-11,13H,12H2,1-3H3,(H,23,25)/t13-/m1/s1
InChIKeyDAGPFEWAJOJTPZ-CYBMUJFWSA-N
MW379.49 g/mol
LogP4.66
Rot. Bonds5

About 3-(2,5-dimethylpyrrol-1-yl)-N-[(2R)-1-(furan-2-yl)propan-2-yl]thieno[2,3-b]pyridine-2-carboxamide

3-(2,5-dimethylpyrrol-1-yl)-N-[(2R)-1-(furan-2-yl)propan-2-yl]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 92875757) has the molecular formula C21H21N3O2S and a molecular weight of 379.49 g/mol. Its IUPAC name is 3-(2,5-dimethylpyrrol-1-yl)-N-[(2R)-1-(furan-2-yl)propan-2-yl]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-(2,5-dimethylpyrrol-1-yl)-N-[(2R)-1-(furan-2-yl)propan-2-yl]thieno[2,3-b]pyridine-2-carboxamide
PubChem CID92875757
Molecular FormulaC21H21N3O2S
Molecular Weight379.49 g/mol
Exact Mass379.14
IUPAC Name3-(2,5-dimethylpyrrol-1-yl)-N-[(2R)-1-(furan-2-yl)propan-2-yl]thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc(C)n1-c1c(C(=O)N[C@H](C)Cc2ccco2)sc2ncccc12
InChIInChI=1S/C21H21N3O2S/c1-13(12-16-6-5-11-26-16)23-20(25)19-18(24-14(2)8-9-15(24)3)17-7-4-10-22-21(17)27-19/h4-11,13H,12H2,1-3H3,(H,23,25)/t13-/m1/s1
InChIKeyDAGPFEWAJOJTPZ-CYBMUJFWSA-N
XLogP4.66
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,5-dimethylpyrrol-1-yl)-N-[(4-fluorophenyl)methyl]thieno[2,3-b]pyridine-2-carboxamide
CID 46353286
N-[(4-chlorophenyl)methyl]-3-(2,5-dimethylpyrrol-1-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 46353252
N-[1-(furan-2-yl)propan-2-yl]pyridine-2-carboxamide
CID 42957156
N-[1-(furan-2-yl)propan-2-yl]-2-(methylamino)pyridine-3-carboxamide
CID 62180683
N-[1-(furan-2-yl)propan-2-yl]-1H-indole-3-carboxamide
CID 61043525
3-amino-N-[(2S)-1-(furan-2-yl)propan-2-yl]pyrazine-2-carboxamide
CID 94022829
N-[1-(furan-2-yl)propan-2-yl]benzamide
CID 47148390
N-[(2S)-1-(furan-2-yl)propan-2-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 94022833
N-[1-(furan-2-yl)propan-2-yl]-4-hydrazinylpyridine-3-carboxamide
CID 81256734
N-[(2S)-4-(furan-2-yl)butan-2-yl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 92877004
3-[2-[1-(furan-2-yl)propan-2-ylcarbamoyl]thiophen-3-yl]prop-2-enoic acid
CID 77017847
N-[1-(furan-2-yl)propan-2-yl]-4-(trifluoromethyl)benzamide
CID 4253008

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylpyrrol-1-yl)-N-[(2R)-1-(furan-2-yl)propan-2-yl]thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-(2,5-dimethylpyrrol-1-yl)-N-[(2R)-1-(furan-2-yl)propan-2-yl]thieno[2,3-b]pyridine-2-carboxamide (CID 92875757) is 3-(2,5-dimethylpyrrol-1-yl)-N-[(2R)-1-(furan-2-yl)propan-2-yl]thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-(2,5-dimethylpyrrol-1-yl)-N-[(2R)-1-(furan-2-yl)propan-2-yl]thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-(2,5-dimethylpyrrol-1-yl)-N-[(2R)-1-(furan-2-yl)propan-2-yl]thieno[2,3-b]pyridine-2-carboxamide is Cc1ccc(C)n1-c1c(C(=O)N[C@H](C)Cc2ccco2)sc2ncccc12.
What is the InChIKey of 3-(2,5-dimethylpyrrol-1-yl)-N-[(2R)-1-(furan-2-yl)propan-2-yl]thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is DAGPFEWAJOJTPZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H21N3O2S/c1-13(12-16-6-5-11-26-16)23-20(25)19-18(24-14(2)8-9-15(24)3)17-7-4-10-22-21(17)27-19/h4-11,13H,12H2,1-3H3,(H,23,25)/t13-/m1/s1.
What are the key properties of 3-(2,5-dimethylpyrrol-1-yl)-N-[(2R)-1-(furan-2-yl)propan-2-yl]thieno[2,3-b]pyridine-2-carboxamide?
3-(2,5-dimethylpyrrol-1-yl)-N-[(2R)-1-(furan-2-yl)propan-2-yl]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 379.49 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylpyrrol-1-yl)-N-[(2R)-1-(furan-2-yl)propan-2-yl]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 92875757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).