N-(2-methoxyethyl)-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide

C15H15N3O2S — CID 22577899

IUPACN-(2-methoxyethyl)-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide
SMILESCOCCNC(=O)c1sc2ncccc2c1-n1cccc1
InChIInChI=1S/C15H15N3O2S/c1-20-10-7-16-14(19)13-12(18-8-2-3-9-18)11-5-4-6-17-15(11)21-13/h2-6,8-9H,7,10H2,1H3,(H,16,19)
InChIKeyGEKYKBIUFMVQGB-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.46
Rot. Bonds5

About N-(2-methoxyethyl)-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide

N-(2-methoxyethyl)-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 22577899) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID22577899
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC NameN-(2-methoxyethyl)-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide
SMILESCOCCNC(=O)c1sc2ncccc2c1-n1cccc1
InChIInChI=1S/C15H15N3O2S/c1-20-10-7-16-14(19)13-12(18-8-2-3-9-18)11-5-4-6-17-15(11)21-13/h2-6,8-9H,7,10H2,1H3,(H,16,19)
InChIKeyGEKYKBIUFMVQGB-UHFFFAOYSA-N
XLogP2.46
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(4-propylpiperazin-1-yl)propyl]-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide
CID 46353222
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide
CID 51661976
N-(4-carbamoylphenyl)-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide
CID 50838614
N-(1-benzylpiperidin-4-yl)-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide
CID 22577904
N-butyl-3-methoxythieno[2,3-b]pyridine-2-carboxamide
CID 54278468
N-[1-(1-adamantyl)ethyl]-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide
CID 50800554
pyrrolidin-1-yl-(3-pyrrol-1-ylthieno[2,3-b]pyridin-2-yl)methanone
CID 22577871
3-amino-N-[2-(2-methylprop-2-enoxy)ethyl]thieno[2,3-b]pyridine-2-carboxamide
CID 114469848
N-[2-(diethylamino)ethyl]-3-(2,5-dimethylpyrrol-1-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 46353271
N-(2-methoxyethyl)-3-[(3S)-1-(quinolin-6-ylmethyl)pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 124971782
3-(1-benzoylpyrrolidin-3-yl)-N-(2-methoxyethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 127248233
N-(3-chloro-4-fluorophenyl)-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide
CID 50838618

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide (CID 22577899) is N-(2-methoxyethyl)-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide is COCCNC(=O)c1sc2ncccc2c1-n1cccc1.
What is the InChIKey of N-(2-methoxyethyl)-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is GEKYKBIUFMVQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-20-10-7-16-14(19)13-12(18-8-2-3-9-18)11-5-4-6-17-15(11)21-13/h2-6,8-9H,7,10H2,1H3,(H,16,19).
What are the key properties of N-(2-methoxyethyl)-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide?
N-(2-methoxyethyl)-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 301.37 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 22577899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).