3-amino-4,6-dimethyl-N-(4-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide

C17H17N3OS — CID 734382

IUPAC3-amino-4,6-dimethyl-N-(4-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2sc3nc(C)cc(C)c3c2N)cc1
InChIInChI=1S/C17H17N3OS/c1-9-4-6-12(7-5-9)20-16(21)15-14(18)13-10(2)8-11(3)19-17(13)22-15/h4-8H,18H2,1-3H3,(H,20,21)
InChIKeyIGRMOJWYJRWYIQ-UHFFFAOYSA-N
MW311.41 g/mol
LogP4.06
Rot. Bonds2

About 3-amino-4,6-dimethyl-N-(4-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide

3-amino-4,6-dimethyl-N-(4-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 734382) has the molecular formula C17H17N3OS and a molecular weight of 311.41 g/mol. Its IUPAC name is 3-amino-4,6-dimethyl-N-(4-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-4,6-dimethyl-N-(4-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID734382
Molecular FormulaC17H17N3OS
Molecular Weight311.41 g/mol
Exact Mass311.11
IUPAC Name3-amino-4,6-dimethyl-N-(4-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2sc3nc(C)cc(C)c3c2N)cc1
InChIInChI=1S/C17H17N3OS/c1-9-4-6-12(7-5-9)20-16(21)15-14(18)13-10(2)8-11(3)19-17(13)22-15/h4-8H,18H2,1-3H3,(H,20,21)
InChIKeyIGRMOJWYJRWYIQ-UHFFFAOYSA-N
XLogP4.06
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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-5-ethyl-4,6-dimethylthieno(2,3-b)pyridine-2-carboxamide
CID 750440
(3-Amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)phenylmethanone
CID 683024
3-Amino-N-(2,3-dimethylphenyl)-6,7-dihydro-5H-cyclopenta[B]thieno[3,2-E]pyridine-2-carboxamide
CID 612420
3-amino-N-(4-fluorophenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 712295
3-amino-N-(3,4-dimethylphenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 798344
3-amino-N-(4-fluorophenyl)-4-phenyl-6-(2-thienyl)thieno[2,3-b]pyridine-2-carboxamide
CID 1772579
2-(1-Piperidinylcarbonyl)-5,6,7,8-tetrahydrothieno(2,3-B)quinolin-3-amine
CID 697512
6-Phenyl-2-(pyrrolidine-1-carbonyl)thieno(2,3-b)pyridin-3-amine
CID 3726387
3-Amino-N-(2,3-DI-ME-PH)-5,6,7,8-tetrahydrothieno(2,3-B)quinoline-2-carboxamide
CID 615708
(3-Amino-5,6,7,8-tetrahydrothieno(2,3-B)quinolin-2-YL)(phenyl)methanone
CID 716890
3-Amino-N-(2-fluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[B]thieno[3,2-E]pyridine-2-carboxamide
CID 1023422

Frequently Asked Questions

What is the IUPAC name of 3-amino-4,6-dimethyl-N-(4-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-4,6-dimethyl-N-(4-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide (CID 734382) is 3-amino-4,6-dimethyl-N-(4-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-4,6-dimethyl-N-(4-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-4,6-dimethyl-N-(4-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide is Cc1ccc(NC(=O)c2sc3nc(C)cc(C)c3c2N)cc1.
What is the InChIKey of 3-amino-4,6-dimethyl-N-(4-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is IGRMOJWYJRWYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3OS/c1-9-4-6-12(7-5-9)20-16(21)15-14(18)13-10(2)8-11(3)19-17(13)22-15/h4-8H,18H2,1-3H3,(H,20,21).
What are the key properties of 3-amino-4,6-dimethyl-N-(4-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide?
3-amino-4,6-dimethyl-N-(4-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 311.41 g/mol, XLogP of 4.06, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4,6-dimethyl-N-(4-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 734382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).