5-(2,3-dihydro-1H-indene-1-carbonyl)-N,N-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide

C20H22N2O2S — CID 77085732

IUPAC5-(2,3-dihydro-1H-indene-1-carbonyl)-N,N-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
SMILESCN(C)C(=O)c1cc2c(s1)CCN(C(=O)C1CCc3ccccc31)C2
InChIInChI=1S/C20H22N2O2S/c1-21(2)20(24)18-11-14-12-22(10-9-17(14)25-18)19(23)16-8-7-13-5-3-4-6-15(13)16/h3-6,11,16H,7-10,12H2,1-2H3
InChIKeyDTZBCZISJMMHGY-UHFFFAOYSA-N
MW354.48 g/mol
LogP3.06
Rot. Bonds2

About 5-(2,3-dihydro-1H-indene-1-carbonyl)-N,N-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide

5-(2,3-dihydro-1H-indene-1-carbonyl)-N,N-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide (PubChem CID 77085732) has the molecular formula C20H22N2O2S and a molecular weight of 354.48 g/mol. Its IUPAC name is 5-(2,3-dihydro-1H-indene-1-carbonyl)-N,N-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(2,3-dihydro-1H-indene-1-carbonyl)-N,N-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
PubChem CID77085732
Molecular FormulaC20H22N2O2S
Molecular Weight354.48 g/mol
Exact Mass354.14
IUPAC Name5-(2,3-dihydro-1H-indene-1-carbonyl)-N,N-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
SMILESCN(C)C(=O)c1cc2c(s1)CCN(C(=O)C1CCc3ccccc31)C2
InChIInChI=1S/C20H22N2O2S/c1-21(2)20(24)18-11-14-12-22(10-9-17(14)25-18)19(23)16-8-7-13-5-3-4-6-15(13)16/h3-6,11,16H,7-10,12H2,1-2H3
InChIKeyDTZBCZISJMMHGY-UHFFFAOYSA-N
XLogP3.06
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-(2,3-dihydro-1H-indene-1-carbonyl)-N,N-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide with MolForge

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Related Compounds

5-[(3S)-1-ethyl-6-oxopiperidine-3-carbonyl]-N,N-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
CID 97148888
3,4-dihydro-1H-isoquinolin-2-yl(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 134034276
5-[(3R)-1-(2-methoxyacetyl)piperidine-3-carbonyl]-N,N-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
CID 97270670
N,N-dimethyl-5-[3-(1-methylpiperidin-3-yl)propanoyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
CID 72909816
5-benzoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylic acid
CID 82369269
2-N,2-N-dimethyl-5-N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2,5-dicarboxamide
CID 72938591
[3-(methylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone
CID 95600366
[2-[(3R)-3-methylpiperidine-1-carbonyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-phenylmethanone
CID 95099242
[2-(3-methylpiperidine-1-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-phenylmethanone
CID 53158935
[2-[(3S)-3-methylpiperidine-1-carbonyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-phenylmethanone
CID 95099243
[(1R)-2,3-dihydro-1H-inden-1-yl]-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone
CID 95607316
3,4-dihydro-1H-isoquinolin-2-yl-[(5R)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]methanone
CID 25480271

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1H-indene-1-carbonyl)-N,N-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?
The IUPAC name of 5-(2,3-dihydro-1H-indene-1-carbonyl)-N,N-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide (CID 77085732) is 5-(2,3-dihydro-1H-indene-1-carbonyl)-N,N-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for 5-(2,3-dihydro-1H-indene-1-carbonyl)-N,N-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for 5-(2,3-dihydro-1H-indene-1-carbonyl)-N,N-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide is CN(C)C(=O)c1cc2c(s1)CCN(C(=O)C1CCc3ccccc31)C2.
What is the InChIKey of 5-(2,3-dihydro-1H-indene-1-carbonyl)-N,N-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?
The InChIKey is DTZBCZISJMMHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2S/c1-21(2)20(24)18-11-14-12-22(10-9-17(14)25-18)19(23)16-8-7-13-5-3-4-6-15(13)16/h3-6,11,16H,7-10,12H2,1-2H3.
What are the key properties of 5-(2,3-dihydro-1H-indene-1-carbonyl)-N,N-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?
5-(2,3-dihydro-1H-indene-1-carbonyl)-N,N-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide has a molecular weight of 354.48 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1H-indene-1-carbonyl)-N,N-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 77085732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).