3,4,6-trimethyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)thieno[2,3-b]pyridine-2-carboxamide

C21H25N3OS2 — CID 24640429

IUPAC3,4,6-trimethyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cc(C)c2c(C)c(C(=O)NCC(c3cccs3)N3CCCC3)sc2n1
InChIInChI=1S/C21H25N3OS2/c1-13-11-14(2)23-21-18(13)15(3)19(27-21)20(25)22-12-16(17-7-6-10-26-17)24-8-4-5-9-24/h6-7,10-11,16H,4-5,8-9,12H2,1-3H3,(H,22,25)
InChIKeyUZQGDIRSDRBNDA-UHFFFAOYSA-N
MW399.59 g/mol
LogP4.85
Rot. Bonds5

About 3,4,6-trimethyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)thieno[2,3-b]pyridine-2-carboxamide

3,4,6-trimethyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 24640429) has the molecular formula C21H25N3OS2 and a molecular weight of 399.59 g/mol. Its IUPAC name is 3,4,6-trimethyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3,4,6-trimethyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID24640429
Molecular FormulaC21H25N3OS2
Molecular Weight399.59 g/mol
Exact Mass399.14
IUPAC Name3,4,6-trimethyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cc(C)c2c(C)c(C(=O)NCC(c3cccs3)N3CCCC3)sc2n1
InChIInChI=1S/C21H25N3OS2/c1-13-11-14(2)23-21-18(13)15(3)19(27-21)20(25)22-12-16(17-7-6-10-26-17)24-8-4-5-9-24/h6-7,10-11,16H,4-5,8-9,12H2,1-3H3,(H,22,25)
InChIKeyUZQGDIRSDRBNDA-UHFFFAOYSA-N
XLogP4.85
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.59
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4,6-trimethyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 17479577
3-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)thiophene-2-carboxamide
CID 46522611
4,5-dimethyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)thiophene-2-carboxamide
CID 46522629
N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]-3,5-dimethoxybenzamide
CID 112504783
5-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-1,2-oxazole-3-carboxamide
CID 51075751
3-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 17012410
3-chloro-6-methyl-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]-1-benzothiophene-2-carboxamide
CID 34954611
3-methyl-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 17011590
3-methoxy-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide;hydrochloride
CID 52984511
7-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 134025872
N-[(2R)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide
CID 34950040
N-[(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 35042267

Frequently Asked Questions

What is the IUPAC name of 3,4,6-trimethyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3,4,6-trimethyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)thieno[2,3-b]pyridine-2-carboxamide (CID 24640429) is 3,4,6-trimethyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3,4,6-trimethyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3,4,6-trimethyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)thieno[2,3-b]pyridine-2-carboxamide is Cc1cc(C)c2c(C)c(C(=O)NCC(c3cccs3)N3CCCC3)sc2n1.
What is the InChIKey of 3,4,6-trimethyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is UZQGDIRSDRBNDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3OS2/c1-13-11-14(2)23-21-18(13)15(3)19(27-21)20(25)22-12-16(17-7-6-10-26-17)24-8-4-5-9-24/h6-7,10-11,16H,4-5,8-9,12H2,1-3H3,(H,22,25).
What are the key properties of 3,4,6-trimethyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)thieno[2,3-b]pyridine-2-carboxamide?
3,4,6-trimethyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 399.59 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,6-trimethyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 24640429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).