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

C19H15Cl2N3OS — CID 155563505

IUPACN-(3,5-dichlorophenyl)-4-pyridin-4-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)N1CCc2sccc2C1c1ccncc1
InChIInChI=1S/C19H15Cl2N3OS/c20-13-9-14(21)11-15(10-13)23-19(25)24-7-3-17-16(4-8-26-17)18(24)12-1-5-22-6-2-12/h1-2,4-6,8-11,18H,3,7H2,(H,23,25)
InChIKeyRFTDOKATMJAJBE-UHFFFAOYSA-N
MW404.32 g/mol
LogP5.63
Rot. Bonds2

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

N-(3,5-dichlorophenyl)-4-pyridin-4-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (PubChem CID 155563505) has the molecular formula C19H15Cl2N3OS and a molecular weight of 404.32 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-4-pyridin-4-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-4-pyridin-4-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
PubChem CID155563505
Molecular FormulaC19H15Cl2N3OS
Molecular Weight404.32 g/mol
Exact Mass403.03
IUPAC NameN-(3,5-dichlorophenyl)-4-pyridin-4-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)N1CCc2sccc2C1c1ccncc1
InChIInChI=1S/C19H15Cl2N3OS/c20-13-9-14(21)11-15(10-13)23-19(25)24-7-3-17-16(4-8-26-17)18(24)12-1-5-22-6-2-12/h1-2,4-6,8-11,18H,3,7H2,(H,23,25)
InChIKeyRFTDOKATMJAJBE-UHFFFAOYSA-N
XLogP5.63
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.32
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-4-pyridin-4-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The IUPAC name of N-(3,5-dichlorophenyl)-4-pyridin-4-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (CID 155563505) is N-(3,5-dichlorophenyl)-4-pyridin-4-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-4-pyridin-4-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-4-pyridin-4-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is O=C(Nc1cc(Cl)cc(Cl)c1)N1CCc2sccc2C1c1ccncc1.
What is the InChIKey of N-(3,5-dichlorophenyl)-4-pyridin-4-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The InChIKey is RFTDOKATMJAJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2N3OS/c20-13-9-14(21)11-15(10-13)23-19(25)24-7-3-17-16(4-8-26-17)18(24)12-1-5-22-6-2-12/h1-2,4-6,8-11,18H,3,7H2,(H,23,25).
What are the key properties of N-(3,5-dichlorophenyl)-4-pyridin-4-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
N-(3,5-dichlorophenyl)-4-pyridin-4-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide has a molecular weight of 404.32 g/mol, XLogP of 5.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-4-pyridin-4-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is sourced from PubChem (CID 155563505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).