N-[2-(diethylamino)ethyl]-3-(2,5-dimethylpyrrol-1-yl)thieno[2,3-b]pyridine-2-carboxamide

C20H26N4OS — CID 46353271

IUPACN-[2-(diethylamino)ethyl]-3-(2,5-dimethylpyrrol-1-yl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCCN(CC)CCNC(=O)c1sc2ncccc2c1-n1c(C)ccc1C
InChIInChI=1S/C20H26N4OS/c1-5-23(6-2)13-12-21-19(25)18-17(24-14(3)9-10-15(24)4)16-8-7-11-22-20(16)26-18/h7-11H,5-6,12-13H2,1-4H3,(H,21,25)
InChIKeyRDKXQDAWHUDPRT-UHFFFAOYSA-N
MW370.52 g/mol
LogP3.78
Rot. Bonds7

About N-[2-(diethylamino)ethyl]-3-(2,5-dimethylpyrrol-1-yl)thieno[2,3-b]pyridine-2-carboxamide

N-[2-(diethylamino)ethyl]-3-(2,5-dimethylpyrrol-1-yl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 46353271) has the molecular formula C20H26N4OS and a molecular weight of 370.52 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-3-(2,5-dimethylpyrrol-1-yl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-3-(2,5-dimethylpyrrol-1-yl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID46353271
Molecular FormulaC20H26N4OS
Molecular Weight370.52 g/mol
Exact Mass370.18
IUPAC NameN-[2-(diethylamino)ethyl]-3-(2,5-dimethylpyrrol-1-yl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCCN(CC)CCNC(=O)c1sc2ncccc2c1-n1c(C)ccc1C
InChIInChI=1S/C20H26N4OS/c1-5-23(6-2)13-12-21-19(25)18-17(24-14(3)9-10-15(24)4)16-8-7-11-22-20(16)26-18/h7-11H,5-6,12-13H2,1-4H3,(H,21,25)
InChIKeyRDKXQDAWHUDPRT-UHFFFAOYSA-N
XLogP3.78
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(diethylamino)ethyl]-3-(2,5-dimethylpyrrol-1-yl)thieno[2,3-b]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
3-(2,5-dimethylpyrrol-1-yl)-N-[(3-methylphenyl)methyl]thieno[2,3-b]pyridine-2-carboxamide
CID 46353275
N-[(3-chlorophenyl)methyl]-3-(2,5-dimethylpyrrol-1-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 46353248
3-(2,5-dimethylpyrrol-1-yl)-N-[(2R)-1-(furan-2-yl)propan-2-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 92875757
N-(2-methoxyethyl)-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide
CID 22577899
N-[2-(diethylamino)ethyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 39084221
ethyl 1-[3-(2,5-dimethylpyrrol-1-yl)thieno[2,3-b]pyridine-2-carbonyl]piperidine-4-carboxylate
CID 46353257
N-[3-(4-propylpiperazin-1-yl)propyl]-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide
CID 46353222
3-amino-N-[2-(diethylamino)ethyl]pyridine-2-carboxamide
CID 104740794
3-bromo-N-[2-(diethylamino)ethyl]pyridine-2-carboxamide
CID 107517764
N-butyl-3-methoxythieno[2,3-b]pyridine-2-carboxamide
CID 54278468

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-3-(2,5-dimethylpyrrol-1-yl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-3-(2,5-dimethylpyrrol-1-yl)thieno[2,3-b]pyridine-2-carboxamide (CID 46353271) is N-[2-(diethylamino)ethyl]-3-(2,5-dimethylpyrrol-1-yl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-3-(2,5-dimethylpyrrol-1-yl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-3-(2,5-dimethylpyrrol-1-yl)thieno[2,3-b]pyridine-2-carboxamide is CCN(CC)CCNC(=O)c1sc2ncccc2c1-n1c(C)ccc1C.
What is the InChIKey of N-[2-(diethylamino)ethyl]-3-(2,5-dimethylpyrrol-1-yl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is RDKXQDAWHUDPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4OS/c1-5-23(6-2)13-12-21-19(25)18-17(24-14(3)9-10-15(24)4)16-8-7-11-22-20(16)26-18/h7-11H,5-6,12-13H2,1-4H3,(H,21,25).
What are the key properties of N-[2-(diethylamino)ethyl]-3-(2,5-dimethylpyrrol-1-yl)thieno[2,3-b]pyridine-2-carboxamide?
N-[2-(diethylamino)ethyl]-3-(2,5-dimethylpyrrol-1-yl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 370.52 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-3-(2,5-dimethylpyrrol-1-yl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 46353271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).