3-amino-4,6-dimethyl-N-[2-(5-methylfuran-2-yl)ethyl]thieno[2,3-b]pyridine-2-carboxamide

C17H19N3O2S — CID 177433907

IUPAC3-amino-4,6-dimethyl-N-[2-(5-methylfuran-2-yl)ethyl]thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cc(C)c2c(N)c(C(=O)NCCc3ccc(C)o3)sc2n1
InChIInChI=1S/C17H19N3O2S/c1-9-8-10(2)20-17-13(9)14(18)15(23-17)16(21)19-7-6-12-5-4-11(3)22-12/h4-5,8H,6-7,18H2,1-3H3,(H,19,21)
InChIKeyPZUODLJMZUKFCP-UHFFFAOYSA-N
MW329.43 g/mol
LogP3.37
Rot. Bonds4

About 3-amino-4,6-dimethyl-N-[2-(5-methylfuran-2-yl)ethyl]thieno[2,3-b]pyridine-2-carboxamide

3-amino-4,6-dimethyl-N-[2-(5-methylfuran-2-yl)ethyl]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 177433907) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is 3-amino-4,6-dimethyl-N-[2-(5-methylfuran-2-yl)ethyl]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-4,6-dimethyl-N-[2-(5-methylfuran-2-yl)ethyl]thieno[2,3-b]pyridine-2-carboxamide
PubChem CID177433907
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC Name3-amino-4,6-dimethyl-N-[2-(5-methylfuran-2-yl)ethyl]thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cc(C)c2c(N)c(C(=O)NCCc3ccc(C)o3)sc2n1
InChIInChI=1S/C17H19N3O2S/c1-9-8-10(2)20-17-13(9)14(18)15(23-17)16(21)19-7-6-12-5-4-11(3)22-12/h4-5,8H,6-7,18H2,1-3H3,(H,19,21)
InChIKeyPZUODLJMZUKFCP-UHFFFAOYSA-N
XLogP3.37
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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-(2-hydroxyethyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 14510410
3-amino-N-benzyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 734373
3-amino-4,6-dimethyl-N-(2-morpholin-4-ylethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23997925
3-amino-4,6-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]thieno[2,3-b]pyridine-2-carboxamide
CID 716899
3-amino-N-[(2-fluoro-4-methoxyphenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 72713422
3-amino-N-[2-(3-chloro-4-piperazin-1-ylphenyl)ethyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;hydrochloride
CID 155566919
3-amino-N-[(3,4-dimethoxyphenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 72713211
3-amino-N-(4-ethoxyphenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 734377
3-amino-N-[(3,4-dimethoxyphenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;hydrochloride
CID 72713881
3-amino-N-cyclohexyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 865531
3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid;hydrochloride
CID 43810775

Frequently Asked Questions

What is the IUPAC name of 3-amino-4,6-dimethyl-N-[2-(5-methylfuran-2-yl)ethyl]thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-4,6-dimethyl-N-[2-(5-methylfuran-2-yl)ethyl]thieno[2,3-b]pyridine-2-carboxamide (CID 177433907) is 3-amino-4,6-dimethyl-N-[2-(5-methylfuran-2-yl)ethyl]thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-4,6-dimethyl-N-[2-(5-methylfuran-2-yl)ethyl]thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-4,6-dimethyl-N-[2-(5-methylfuran-2-yl)ethyl]thieno[2,3-b]pyridine-2-carboxamide is Cc1cc(C)c2c(N)c(C(=O)NCCc3ccc(C)o3)sc2n1.
What is the InChIKey of 3-amino-4,6-dimethyl-N-[2-(5-methylfuran-2-yl)ethyl]thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is PZUODLJMZUKFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-9-8-10(2)20-17-13(9)14(18)15(23-17)16(21)19-7-6-12-5-4-11(3)22-12/h4-5,8H,6-7,18H2,1-3H3,(H,19,21).
What are the key properties of 3-amino-4,6-dimethyl-N-[2-(5-methylfuran-2-yl)ethyl]thieno[2,3-b]pyridine-2-carboxamide?
3-amino-4,6-dimethyl-N-[2-(5-methylfuran-2-yl)ethyl]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 329.43 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4,6-dimethyl-N-[2-(5-methylfuran-2-yl)ethyl]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 177433907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).