N-(2-chloroethyl)-N,2,3-trimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide

C13H19ClN2OS — CID 123268686

IUPACN-(2-chloroethyl)-N,2,3-trimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide
SMILESCc1sc2c(c1C)CCN(C(=O)N(C)CCCl)C2
InChIInChI=1S/C13H19ClN2OS/c1-9-10(2)18-12-8-16(6-4-11(9)12)13(17)15(3)7-5-14/h4-8H2,1-3H3
InChIKeyOPCIJPOTXITJSR-UHFFFAOYSA-N
MW286.83 g/mol
LogP3.01
Rot. Bonds2

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

N-(2-chloroethyl)-N,2,3-trimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide (PubChem CID 123268686) has the molecular formula C13H19ClN2OS and a molecular weight of 286.83 g/mol. Its IUPAC name is N-(2-chloroethyl)-N,2,3-trimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N,2,3-trimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide
PubChem CID123268686
Molecular FormulaC13H19ClN2OS
Molecular Weight286.83 g/mol
Exact Mass286.09
IUPAC NameN-(2-chloroethyl)-N,2,3-trimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide
SMILESCc1sc2c(c1C)CCN(C(=O)N(C)CCCl)C2
InChIInChI=1S/C13H19ClN2OS/c1-9-10(2)18-12-8-16(6-4-11(9)12)13(17)15(3)7-5-14/h4-8H2,1-3H3
InChIKeyOPCIJPOTXITJSR-UHFFFAOYSA-N
XLogP3.01
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.83
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N,2,3-trimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide?
The IUPAC name of N-(2-chloroethyl)-N,2,3-trimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide (CID 123268686) is N-(2-chloroethyl)-N,2,3-trimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide.
What is the SMILES notation for N-(2-chloroethyl)-N,2,3-trimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide?
The canonical SMILES for N-(2-chloroethyl)-N,2,3-trimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide is Cc1sc2c(c1C)CCN(C(=O)N(C)CCCl)C2.
What is the InChIKey of N-(2-chloroethyl)-N,2,3-trimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide?
The InChIKey is OPCIJPOTXITJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2OS/c1-9-10(2)18-12-8-16(6-4-11(9)12)13(17)15(3)7-5-14/h4-8H2,1-3H3.
What are the key properties of N-(2-chloroethyl)-N,2,3-trimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide?
N-(2-chloroethyl)-N,2,3-trimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide has a molecular weight of 286.83 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N,2,3-trimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide is sourced from PubChem (CID 123268686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).