3-amino-N-benzyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide

C17H17N3OS — CID 734373

IUPAC3-amino-N-benzyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cc(C)c2c(N)c(C(=O)NCc3ccccc3)sc2n1
InChIInChI=1S/C17H17N3OS/c1-10-8-11(2)20-17-13(10)14(18)15(22-17)16(21)19-9-12-6-4-3-5-7-12/h3-8H,9,18H2,1-2H3,(H,19,21)
InChIKeyTVPQYKDHFUUDKK-UHFFFAOYSA-N
MW311.41 g/mol
LogP3.43
Rot. Bonds3

About 3-amino-N-benzyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide

3-amino-N-benzyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 734373) has the molecular formula C17H17N3OS and a molecular weight of 311.41 g/mol. Its IUPAC name is 3-amino-N-benzyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-benzyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID734373
Molecular FormulaC17H17N3OS
Molecular Weight311.41 g/mol
Exact Mass311.11
IUPAC Name3-amino-N-benzyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cc(C)c2c(N)c(C(=O)NCc3ccccc3)sc2n1
InChIInChI=1S/C17H17N3OS/c1-10-8-11(2)20-17-13(10)14(18)15(22-17)16(21)19-9-12-6-4-3-5-7-12/h3-8H,9,18H2,1-2H3,(H,19,21)
InChIKeyTVPQYKDHFUUDKK-UHFFFAOYSA-N
XLogP3.43
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-4,6-dimethyl-N-(2-phenylethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 707443
3-amino-N-benzyl-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 69232830
3-amino-N-[(3,4-dimethoxyphenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 72713211
3-amino-N-[(3,4-dimethoxyphenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;hydrochloride
CID 72713881
3-amino-N-(2-hydroxyethyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 14510410
3-amino-N-[(2-fluoro-4-methoxyphenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 72713422
3-(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-3-oxo-N-phenylpropanamide
CID 169006544
3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid;hydrochloride
CID 43810775
3-amino-N-(2-aminoethyl)-4-methyl-6-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 102267908
3-amino-4,6-dimethyl-N-[2-(5-methylfuran-2-yl)ethyl]thieno[2,3-b]pyridine-2-carboxamide
CID 177433907
3-amino-N-benzyl-4-methyl-6-(2-morpholin-4-ylethoxy)thieno[2,3-b]pyridine-2-carboxamide
CID 45142481
3-amino-N-benzyl-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 23830081

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-benzyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-benzyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide (CID 734373) is 3-amino-N-benzyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-benzyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-benzyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide is Cc1cc(C)c2c(N)c(C(=O)NCc3ccccc3)sc2n1.
What is the InChIKey of 3-amino-N-benzyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is TVPQYKDHFUUDKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3OS/c1-10-8-11(2)20-17-13(10)14(18)15(22-17)16(21)19-9-12-6-4-3-5-7-12/h3-8H,9,18H2,1-2H3,(H,19,21).
What are the key properties of 3-amino-N-benzyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-benzyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 311.41 g/mol, XLogP of 3.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-benzyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 734373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).