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

C14H19F3N2OS — CID 123586112

IUPACN,2,3-trimethyl-N-(3,3,3-trifluoropropyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide
SMILESCc1sc2c(c1C)CCN(C(=O)N(C)CCC(F)(F)F)C2
InChIInChI=1S/C14H19F3N2OS/c1-9-10(2)21-12-8-19(6-4-11(9)12)13(20)18(3)7-5-14(15,16)17/h4-8H2,1-3H3
InChIKeyKXLNDFYXKTVPJG-UHFFFAOYSA-N
MW320.38 g/mol
LogP3.73
Rot. Bonds2

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

N,2,3-trimethyl-N-(3,3,3-trifluoropropyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide (PubChem CID 123586112) has the molecular formula C14H19F3N2OS and a molecular weight of 320.38 g/mol. Its IUPAC name is N,2,3-trimethyl-N-(3,3,3-trifluoropropyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide.

Molecular Properties

Compound NameN,2,3-trimethyl-N-(3,3,3-trifluoropropyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide
PubChem CID123586112
Molecular FormulaC14H19F3N2OS
Molecular Weight320.38 g/mol
Exact Mass320.12
IUPAC NameN,2,3-trimethyl-N-(3,3,3-trifluoropropyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide
SMILESCc1sc2c(c1C)CCN(C(=O)N(C)CCC(F)(F)F)C2
InChIInChI=1S/C14H19F3N2OS/c1-9-10(2)21-12-8-19(6-4-11(9)12)13(20)18(3)7-5-14(15,16)17/h4-8H2,1-3H3
InChIKeyKXLNDFYXKTVPJG-UHFFFAOYSA-N
XLogP3.73
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.38
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

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Related Compounds

tert-butyl 3-(aminomethyl)-2-(trifluoromethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 118462247
2,3-dimethyl-N-(3,3,3-trifluoropropyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide
CID 123352978
6-Acetyl-3-(2-dimethylaminoethyl)-4,5,6,7-tetrahydro-2-methylthieno[2,3-c]pyridine
CID 21472003
N-(2-chloroethyl)-N,2,3-trimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide
CID 123268686
N,N-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 115576627
N,N-diethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 115618572
N-ethyl-N-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 115678020

Frequently Asked Questions

What is the IUPAC name of N,2,3-trimethyl-N-(3,3,3-trifluoropropyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide?
The IUPAC name of N,2,3-trimethyl-N-(3,3,3-trifluoropropyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide (CID 123586112) is N,2,3-trimethyl-N-(3,3,3-trifluoropropyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide.
What is the SMILES notation for N,2,3-trimethyl-N-(3,3,3-trifluoropropyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide?
The canonical SMILES for N,2,3-trimethyl-N-(3,3,3-trifluoropropyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide is Cc1sc2c(c1C)CCN(C(=O)N(C)CCC(F)(F)F)C2.
What is the InChIKey of N,2,3-trimethyl-N-(3,3,3-trifluoropropyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide?
The InChIKey is KXLNDFYXKTVPJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2OS/c1-9-10(2)21-12-8-19(6-4-11(9)12)13(20)18(3)7-5-14(15,16)17/h4-8H2,1-3H3.
What are the key properties of N,2,3-trimethyl-N-(3,3,3-trifluoropropyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide?
N,2,3-trimethyl-N-(3,3,3-trifluoropropyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide has a molecular weight of 320.38 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,3-trimethyl-N-(3,3,3-trifluoropropyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide is sourced from PubChem (CID 123586112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).