3-amino-6-(difluoromethyl)-N-(2,4-dimethylphenyl)-4-methylthieno[2,3-b]pyridine-2-carboxamide

C18H17F2N3OS — CID 3621469

IUPAC3-amino-6-(difluoromethyl)-N-(2,4-dimethylphenyl)-4-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2sc3nc(C(F)F)cc(C)c3c2N)c(C)c1
InChIInChI=1S/C18H17F2N3OS/c1-8-4-5-11(9(2)6-8)22-17(24)15-14(21)13-10(3)7-12(16(19)20)23-18(13)25-15/h4-7,16H,21H2,1-3H3,(H,22,24)
InChIKeyQOBROIYZBIILSV-UHFFFAOYSA-N
MW361.42 g/mol
LogP4.99
Rot. Bonds3

About 3-amino-6-(difluoromethyl)-N-(2,4-dimethylphenyl)-4-methylthieno[2,3-b]pyridine-2-carboxamide

3-amino-6-(difluoromethyl)-N-(2,4-dimethylphenyl)-4-methylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 3621469) has the molecular formula C18H17F2N3OS and a molecular weight of 361.42 g/mol. Its IUPAC name is 3-amino-6-(difluoromethyl)-N-(2,4-dimethylphenyl)-4-methylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-(difluoromethyl)-N-(2,4-dimethylphenyl)-4-methylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID3621469
Molecular FormulaC18H17F2N3OS
Molecular Weight361.42 g/mol
Exact Mass361.11
IUPAC Name3-amino-6-(difluoromethyl)-N-(2,4-dimethylphenyl)-4-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2sc3nc(C(F)F)cc(C)c3c2N)c(C)c1
InChIInChI=1S/C18H17F2N3OS/c1-8-4-5-11(9(2)6-8)22-17(24)15-14(21)13-10(3)7-12(16(19)20)23-18(13)25-15/h4-7,16H,21H2,1-3H3,(H,22,24)
InChIKeyQOBROIYZBIILSV-UHFFFAOYSA-N
XLogP4.99
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-6-(difluoromethyl)-4-methyl-N-(3-nitrophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19581270
[3-amino-6-(difluoromethyl)-4-methylthieno[2,3-b]pyridin-2-yl]-(2,4-dichlorophenyl)methanone
CID 1001525
4-amino-N-(2,4-dimethylphenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116668417
3-amino-N-(2,5-difluorophenyl)-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 39369077
3-amino-4-(4-chlorophenyl)-5-N-(2,4-dimethylphenyl)-6-methyl-2-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-b]pyridine-2,5-dicarboxamide
CID 22423559
6-(difluoromethyl)-3-[[1-[(2,4-dimethylphenoxy)methyl]pyrazole-3-carbonyl]amino]-4-methylthieno[2,3-b]pyridine-2-carboxamide
CID 19275073
3-amino-4-methyl-N-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 87048493
3-amino-N-(2-methylphenyl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 23832639
3-amino-N-(3,4-dichlorophenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 1144500
3-amino-4,5,6-trimethyl-N-(3-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23944794
3-amino-4,6-dimethyl-N-(4-propan-2-yloxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 1187975
3-amino-4-(4-chlorophenyl)-2-N-cyclopentyl-5-N-(2,4-dimethylphenyl)-6-methylthieno[2,3-b]pyridine-2,5-dicarboxamide
CID 22423558

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(difluoromethyl)-N-(2,4-dimethylphenyl)-4-methylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-6-(difluoromethyl)-N-(2,4-dimethylphenyl)-4-methylthieno[2,3-b]pyridine-2-carboxamide (CID 3621469) is 3-amino-6-(difluoromethyl)-N-(2,4-dimethylphenyl)-4-methylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-6-(difluoromethyl)-N-(2,4-dimethylphenyl)-4-methylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-6-(difluoromethyl)-N-(2,4-dimethylphenyl)-4-methylthieno[2,3-b]pyridine-2-carboxamide is Cc1ccc(NC(=O)c2sc3nc(C(F)F)cc(C)c3c2N)c(C)c1.
What is the InChIKey of 3-amino-6-(difluoromethyl)-N-(2,4-dimethylphenyl)-4-methylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is QOBROIYZBIILSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N3OS/c1-8-4-5-11(9(2)6-8)22-17(24)15-14(21)13-10(3)7-12(16(19)20)23-18(13)25-15/h4-7,16H,21H2,1-3H3,(H,22,24).
What are the key properties of 3-amino-6-(difluoromethyl)-N-(2,4-dimethylphenyl)-4-methylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-6-(difluoromethyl)-N-(2,4-dimethylphenyl)-4-methylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 361.42 g/mol, XLogP of 4.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(difluoromethyl)-N-(2,4-dimethylphenyl)-4-methylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 3621469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).