N-benzyl-7-methyl-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide

C16H18N2OS — CID 53014817

IUPACN-benzyl-7-methyl-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide
SMILESCN1CCCc2cc(C(=O)NCc3ccccc3)sc21
InChIInChI=1S/C16H18N2OS/c1-18-9-5-8-13-10-14(20-16(13)18)15(19)17-11-12-6-3-2-4-7-12/h2-4,6-7,10H,5,8-9,11H2,1H3,(H,17,19)
InChIKeyCERBUTRHRRFQEM-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.06
Rot. Bonds3

About N-benzyl-7-methyl-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide

N-benzyl-7-methyl-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 53014817) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is N-benzyl-7-methyl-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-7-methyl-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide
PubChem CID53014817
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC NameN-benzyl-7-methyl-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide
SMILESCN1CCCc2cc(C(=O)NCc3ccccc3)sc21
InChIInChI=1S/C16H18N2OS/c1-18-9-5-8-13-10-14(20-16(13)18)15(19)17-11-12-6-3-2-4-7-12/h2-4,6-7,10H,5,8-9,11H2,1H3,(H,17,19)
InChIKeyCERBUTRHRRFQEM-UHFFFAOYSA-N
XLogP3.06
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-benzyl-7-methyl-5,6-dihydro-4H-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

N-(5-Methyl-2-thienyl)benzamide
CID 570111
N-(4,5-dimethylthiophen-2-yl)benzamide
CID 570162
N-(3-(piperidin-1-ylcarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)thiophene-2-carboxamide
CID 1190622
N-[3-(azepan-1-yl)propyl]-5-methyl-4-oxothieno[3,2-c]quinoline-2-carboxamide
CID 20857481
(4-Phenylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 685850
N-[4-(piperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 761867
N-[4-(4-methylpiperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 885311
N-(3-Methylbutyl)-4-oxo-4H,5H-thieno[3,2-C]quinoline-2-carboxamide
CID 5147248
N-[3-(diethylcarbamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 9266297
5-ethyl-N-isopropyl-4-oxo-4,5-dihydrothieno[3,2-c]quinoline-2-carboxamide
CID 16193902
5-Ethyl-N-(3-methylbutyl)-4-oxo-4H,5H-thieno[3,2-C]quinoline-2-carboxamide
CID 20865361
2-(Benzoylamino)-N-isopropyl-4,5-dimethyl-3-thiophenecarboxamide
CID 569946

Frequently Asked Questions

What is the IUPAC name of N-benzyl-7-methyl-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of N-benzyl-7-methyl-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide (CID 53014817) is N-benzyl-7-methyl-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for N-benzyl-7-methyl-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for N-benzyl-7-methyl-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide is CN1CCCc2cc(C(=O)NCc3ccccc3)sc21.
What is the InChIKey of N-benzyl-7-methyl-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is CERBUTRHRRFQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c1-18-9-5-8-13-10-14(20-16(13)18)15(19)17-11-12-6-3-2-4-7-12/h2-4,6-7,10H,5,8-9,11H2,1H3,(H,17,19).
What are the key properties of N-benzyl-7-methyl-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide?
N-benzyl-7-methyl-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 286.40 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-7-methyl-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 53014817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).