N-[2-(dimethylamino)ethyl]-6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

C20H28N4OS — CID 118786775

IUPACN-[2-(dimethylamino)ethyl]-6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESCCc1ccc(CN2CCc3c(C(=O)NCCN(C)C)csc3C2)nc1
InChIInChI=1S/C20H28N4OS/c1-4-15-5-6-16(22-11-15)12-24-9-7-17-18(14-26-19(17)13-24)20(25)21-8-10-23(2)3/h5-6,11,14H,4,7-10,12-13H2,1-3H3,(H,21,25)
InChIKeyOLHYIBLPHUYFBE-UHFFFAOYSA-N
MW372.54 g/mol
LogP2.56
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

N-[2-(dimethylamino)ethyl]-6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (PubChem CID 118786775) has the molecular formula C20H28N4OS and a molecular weight of 372.54 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
PubChem CID118786775
Molecular FormulaC20H28N4OS
Molecular Weight372.54 g/mol
Exact Mass372.20
IUPAC NameN-[2-(dimethylamino)ethyl]-6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESCCc1ccc(CN2CCc3c(C(=O)NCCN(C)C)csc3C2)nc1
InChIInChI=1S/C20H28N4OS/c1-4-15-5-6-16(22-11-15)12-24-9-7-17-18(14-26-19(17)13-24)20(25)21-8-10-23(2)3/h5-6,11,14H,4,7-10,12-13H2,1-3H3,(H,21,25)
InChIKeyOLHYIBLPHUYFBE-UHFFFAOYSA-N
XLogP2.56
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.54
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (CID 118786775) is N-[2-(dimethylamino)ethyl]-6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is CCc1ccc(CN2CCc3c(C(=O)NCCN(C)C)csc3C2)nc1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The InChIKey is OLHYIBLPHUYFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4OS/c1-4-15-5-6-16(22-11-15)12-24-9-7-17-18(14-26-19(17)13-24)20(25)21-8-10-23(2)3/h5-6,11,14H,4,7-10,12-13H2,1-3H3,(H,21,25).
What are the key properties of N-[2-(dimethylamino)ethyl]-6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
N-[2-(dimethylamino)ethyl]-6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide has a molecular weight of 372.54 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 118786775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).