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

C16H18N2OS — CID 47121151

IUPACN-benzyl-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESCC1c2ccsc2CCN1C(=O)NCc1ccccc1
InChIInChI=1S/C16H18N2OS/c1-12-14-8-10-20-15(14)7-9-18(12)16(19)17-11-13-5-3-2-4-6-13/h2-6,8,10,12H,7,9,11H2,1H3,(H,17,19)
InChIKeyFGYQFFDFEZYYDP-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.58
Rot. Bonds2

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

N-benzyl-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (PubChem CID 47121151) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is N-benzyl-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
PubChem CID47121151
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC NameN-benzyl-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESCC1c2ccsc2CCN1C(=O)NCc1ccccc1
InChIInChI=1S/C16H18N2OS/c1-12-14-8-10-20-15(14)7-9-18(12)16(19)17-11-13-5-3-2-4-6-13/h2-6,8,10,12H,7,9,11H2,1H3,(H,17,19)
InChIKeyFGYQFFDFEZYYDP-UHFFFAOYSA-N
XLogP3.58
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-4-methyl-N-(4-methylpentyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 97024976
N-benzyl-2,4-dimethyl-3-oxopiperazine-1-carboxamide
CID 110746863
N-(2-chloroacetyl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 55010144
(1R)-N-benzyl-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 906733
4-phenyl-N-(pyridin-3-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 47014421
2-methyl-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)amino]butanoic acid
CID 79801206
N-[3-(benzimidazol-1-yl)propyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 71940919
N-(4-chlorophenyl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 47121119
N-[[2-(diethylaminomethyl)phenyl]methyl]-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 55473205
N-[(1R)-3-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-oxo-1-phenylpropyl]acetamide
CID 8949047
N-ethyl-N,4-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 116655108
[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-thiophen-2-ylmethanone
CID 6929698

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The IUPAC name of N-benzyl-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (CID 47121151) is N-benzyl-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.
What is the SMILES notation for N-benzyl-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The canonical SMILES for N-benzyl-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is CC1c2ccsc2CCN1C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The InChIKey is FGYQFFDFEZYYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c1-12-14-8-10-20-15(14)7-9-18(12)16(19)17-11-13-5-3-2-4-6-13/h2-6,8,10,12H,7,9,11H2,1H3,(H,17,19).
What are the key properties of N-benzyl-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
N-benzyl-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide has a molecular weight of 286.40 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is sourced from PubChem (CID 47121151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).