N-[(3-fluorophenyl)methyl]-7-methyl-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide

C16H17FN2OS — CID 53165436

IUPACN-[(3-fluorophenyl)methyl]-7-methyl-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide
SMILESCN1CCCc2cc(C(=O)NCc3cccc(F)c3)sc21
InChIInChI=1S/C16H17FN2OS/c1-19-7-3-5-12-9-14(21-16(12)19)15(20)18-10-11-4-2-6-13(17)8-11/h2,4,6,8-9H,3,5,7,10H2,1H3,(H,18,20)
InChIKeyMRTDNUYXKLQBPF-UHFFFAOYSA-N
MW304.39 g/mol
LogP3.20
Rot. Bonds3

About N-[(3-fluorophenyl)methyl]-7-methyl-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide

N-[(3-fluorophenyl)methyl]-7-methyl-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 53165436) has the molecular formula C16H17FN2OS and a molecular weight of 304.39 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-7-methyl-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-7-methyl-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide
PubChem CID53165436
Molecular FormulaC16H17FN2OS
Molecular Weight304.39 g/mol
Exact Mass304.10
IUPAC NameN-[(3-fluorophenyl)methyl]-7-methyl-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide
SMILESCN1CCCc2cc(C(=O)NCc3cccc(F)c3)sc21
InChIInChI=1S/C16H17FN2OS/c1-19-7-3-5-12-9-14(21-16(12)19)15(20)18-10-11-4-2-6-13(17)8-11/h2,4,6,8-9H,3,5,7,10H2,1H3,(H,18,20)
InChIKeyMRTDNUYXKLQBPF-UHFFFAOYSA-N
XLogP3.20
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-7-methyl-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-7-methyl-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide (CID 53165436) is N-[(3-fluorophenyl)methyl]-7-methyl-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-7-methyl-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-7-methyl-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide is CN1CCCc2cc(C(=O)NCc3cccc(F)c3)sc21.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-7-methyl-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is MRTDNUYXKLQBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2OS/c1-19-7-3-5-12-9-14(21-16(12)19)15(20)18-10-11-4-2-6-13(17)8-11/h2,4,6,8-9H,3,5,7,10H2,1H3,(H,18,20).
What are the key properties of N-[(3-fluorophenyl)methyl]-7-methyl-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide?
N-[(3-fluorophenyl)methyl]-7-methyl-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-7-methyl-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 53165436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).