N-[(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]quinoline-2-carboxamide

C20H21N3OS — CID 39185572

IUPACN-[(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]quinoline-2-carboxamide
SMILESC[C@H](CNC(=O)c1ccc2ccccc2n1)N1CCc2sccc2C1
InChIInChI=1S/C20H21N3OS/c1-14(23-10-8-19-16(13-23)9-11-25-19)12-21-20(24)18-7-6-15-4-2-3-5-17(15)22-18/h2-7,9,11,14H,8,10,12-13H2,1H3,(H,21,24)/t14-/m1/s1
InChIKeyRVJSPAZECWAVOI-CQSZACIVSA-N
MW351.48 g/mol
LogP3.47
Rot. Bonds4

About N-[(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]quinoline-2-carboxamide

N-[(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]quinoline-2-carboxamide (PubChem CID 39185572) has the molecular formula C20H21N3OS and a molecular weight of 351.48 g/mol. Its IUPAC name is N-[(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]quinoline-2-carboxamide
PubChem CID39185572
Molecular FormulaC20H21N3OS
Molecular Weight351.48 g/mol
Exact Mass351.14
IUPAC NameN-[(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]quinoline-2-carboxamide
SMILESC[C@H](CNC(=O)c1ccc2ccccc2n1)N1CCc2sccc2C1
InChIInChI=1S/C20H21N3OS/c1-14(23-10-8-19-16(13-23)9-11-25-19)12-21-20(24)18-7-6-15-4-2-3-5-17(15)22-18/h2-7,9,11,14H,8,10,12-13H2,1H3,(H,21,24)/t14-/m1/s1
InChIKeyRVJSPAZECWAVOI-CQSZACIVSA-N
XLogP3.47
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.48
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]quinoline-2-carboxamide with MolForge

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Related Compounds

N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]naphthalene-1-carboxamide
CID 46449295
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 46414207
N-[(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 39182076
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 46400266
N-[(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-5-ethylthiophene-2-carboxamide
CID 51729385
N-[(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-2-methoxyacetamide
CID 94095217
5-amino-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-2-methylbenzamide;dihydrochloride
CID 120643908
2-(4-aminophenyl)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]acetamide
CID 119856322
2-amino-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-3-phenylpropanamide;dihydrochloride
CID 119856325
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-2-(6-methyl-3-pyridinyl)acetamide
CID 75493563
1-[(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-3-(pyridin-3-ylmethyl)urea
CID 94027060
1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-3-(4-hydroxy-3-methylbutan-2-yl)urea
CID 111454576

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]quinoline-2-carboxamide?
The IUPAC name of N-[(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]quinoline-2-carboxamide (CID 39185572) is N-[(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]quinoline-2-carboxamide.
What is the SMILES notation for N-[(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]quinoline-2-carboxamide?
The canonical SMILES for N-[(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]quinoline-2-carboxamide is C[C@H](CNC(=O)c1ccc2ccccc2n1)N1CCc2sccc2C1.
What is the InChIKey of N-[(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]quinoline-2-carboxamide?
The InChIKey is RVJSPAZECWAVOI-CQSZACIVSA-N. The full InChI is InChI=1S/C20H21N3OS/c1-14(23-10-8-19-16(13-23)9-11-25-19)12-21-20(24)18-7-6-15-4-2-3-5-17(15)22-18/h2-7,9,11,14H,8,10,12-13H2,1H3,(H,21,24)/t14-/m1/s1.
What are the key properties of N-[(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]quinoline-2-carboxamide?
N-[(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]quinoline-2-carboxamide has a molecular weight of 351.48 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]quinoline-2-carboxamide is sourced from PubChem (CID 39185572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).