N-(3-chloro-4-fluorophenyl)-3,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide

C17H14ClFN2OS — CID 140720606

IUPACN-(3-chloro-4-fluorophenyl)-3,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cc(C)c2c(C)c(C(=O)Nc3ccc(F)c(Cl)c3)sc2n1
InChIInChI=1S/C17H14ClFN2OS/c1-8-6-9(2)20-17-14(8)10(3)15(23-17)16(22)21-11-4-5-13(19)12(18)7-11/h4-7H,1-3H3,(H,21,22)
InChIKeyRUMYLAVBQVXDSI-UHFFFAOYSA-N
MW348.83 g/mol
LogP5.27
Rot. Bonds2

About N-(3-chloro-4-fluorophenyl)-3,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide

N-(3-chloro-4-fluorophenyl)-3,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 140720606) has the molecular formula C17H14ClFN2OS and a molecular weight of 348.83 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-3,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-3,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID140720606
Molecular FormulaC17H14ClFN2OS
Molecular Weight348.83 g/mol
Exact Mass348.05
IUPAC NameN-(3-chloro-4-fluorophenyl)-3,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cc(C)c2c(C)c(C(=O)Nc3ccc(F)c(Cl)c3)sc2n1
InChIInChI=1S/C17H14ClFN2OS/c1-8-6-9(2)20-17-14(8)10(3)15(23-17)16(22)21-11-4-5-13(19)12(18)7-11/h4-7H,1-3H3,(H,21,22)
InChIKeyRUMYLAVBQVXDSI-UHFFFAOYSA-N
XLogP5.27
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.83
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[(4-chlorophenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 714286
3-amino-N-(4-fluorophenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 712295
3-Amino-N-(2-fluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[B]thieno[3,2-E]pyridine-2-carboxamide
CID 1023422
NadD inhibitor 3_15
CID 1003444
(3-Amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)(4-chlorophenyl)methanone
CID 698106
3-amino-N-(4-chlorobenzyl)-6-(4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 1004121
3-amino-N-(2,5-dichlorophenyl)-6-(thiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 1003423
(3-Amino-4,6-dimethyl-2-thieno[2,3-b]pyridinyl)-(2-chlorophenyl)methanone
CID 2726056
(3-Amino-5-chloro-4,6-dimethylthieno[2,3-b]pyridin-2-yl)(phenyl)methanone
CID 672747
3-amino-N-(2-chlorophenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 734380
3-amino-N-(4-chlorobenzyl)-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridine-2-carboxamide
CID 1005651
3-amino-N-(2-chlorophenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]thieno[3,2-e]pyridine-2-carboxamide
CID 1025279

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-3,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-3,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide (CID 140720606) is N-(3-chloro-4-fluorophenyl)-3,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-3,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-3,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide is Cc1cc(C)c2c(C)c(C(=O)Nc3ccc(F)c(Cl)c3)sc2n1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-3,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is RUMYLAVBQVXDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN2OS/c1-8-6-9(2)20-17-14(8)10(3)15(23-17)16(22)21-11-4-5-13(19)12(18)7-11/h4-7H,1-3H3,(H,21,22).
What are the key properties of N-(3-chloro-4-fluorophenyl)-3,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide?
N-(3-chloro-4-fluorophenyl)-3,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 348.83 g/mol, XLogP of 5.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-3,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 140720606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).