3-amino-4-[benzyl(methyl)amino]thieno[2,3-b]pyridine-2-carboxamide

C16H16N4OS — CID 10267528

IUPAC3-amino-4-[benzyl(methyl)amino]thieno[2,3-b]pyridine-2-carboxamide
SMILESCN(Cc1ccccc1)c1ccnc2sc(C(N)=O)c(N)c12
InChIInChI=1S/C16H16N4OS/c1-20(9-10-5-3-2-4-6-10)11-7-8-19-16-12(11)13(17)14(22-16)15(18)21/h2-8H,9,17H2,1H3,(H2,18,21)
InChIKeyWZBYCWKLJWMVES-UHFFFAOYSA-N
MW312.40 g/mol
LogP2.61
Rot. Bonds4

About 3-amino-4-[benzyl(methyl)amino]thieno[2,3-b]pyridine-2-carboxamide

3-amino-4-[benzyl(methyl)amino]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 10267528) has the molecular formula C16H16N4OS and a molecular weight of 312.40 g/mol. Its IUPAC name is 3-amino-4-[benzyl(methyl)amino]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-[benzyl(methyl)amino]thieno[2,3-b]pyridine-2-carboxamide
PubChem CID10267528
Molecular FormulaC16H16N4OS
Molecular Weight312.40 g/mol
Exact Mass312.10
IUPAC Name3-amino-4-[benzyl(methyl)amino]thieno[2,3-b]pyridine-2-carboxamide
SMILESCN(Cc1ccccc1)c1ccnc2sc(C(N)=O)c(N)c12
InChIInChI=1S/C16H16N4OS/c1-20(9-10-5-3-2-4-6-10)11-7-8-19-16-12(11)13(17)14(22-16)15(18)21/h2-8H,9,17H2,1H3,(H2,18,21)
InChIKeyWZBYCWKLJWMVES-UHFFFAOYSA-N
XLogP2.61
TPSA85.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-acetamido-3-aminothieno[2,3-b]pyridine-2-carboxamide
CID 90436738
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CID 103381354
3-amino-4-[methyl(2-pyridin-2-ylethyl)amino]thieno[2,3-b]pyridin-7-ium-2-carboxamide
CID 146895038
3-amino-4-(2-chlorophenoxy)thieno[2,3-b]pyridine-2-carboxamide
CID 25003888
[3-amino-4-(benzylamino)thieno[2,3-b]pyridin-2-yl]-phenylmethanone
CID 5339110
3-amino-4-piperazin-1-ylthieno[2,3-b]pyridine-2-carboxamide;dihydrochloride
CID 69364402
3-amino-4-(4-ethylcyclohexyl)oxythieno[2,3-b]pyridine-2-carboxamide
CID 155522878
3-amino-4-cyclopropyl-5-[methyl(pyridin-2-ylmethyl)amino]thiophene-2-carboxamide
CID 103509018
1-[2-[benzyl(methyl)amino]-1,3-thiazol-5-yl]ethanone
CID 57302328
N-benzyl-3-chloro-2-methoxy-N-methylpyridin-4-amine
CID 154946976
3-amino-4-(4-pyridin-3-yl-1,4-diazepan-1-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 69365830

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[benzyl(methyl)amino]thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-4-[benzyl(methyl)amino]thieno[2,3-b]pyridine-2-carboxamide (CID 10267528) is 3-amino-4-[benzyl(methyl)amino]thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-4-[benzyl(methyl)amino]thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-4-[benzyl(methyl)amino]thieno[2,3-b]pyridine-2-carboxamide is CN(Cc1ccccc1)c1ccnc2sc(C(N)=O)c(N)c12.
What is the InChIKey of 3-amino-4-[benzyl(methyl)amino]thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is WZBYCWKLJWMVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4OS/c1-20(9-10-5-3-2-4-6-10)11-7-8-19-16-12(11)13(17)14(22-16)15(18)21/h2-8H,9,17H2,1H3,(H2,18,21).
What are the key properties of 3-amino-4-[benzyl(methyl)amino]thieno[2,3-b]pyridine-2-carboxamide?
3-amino-4-[benzyl(methyl)amino]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 312.40 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[benzyl(methyl)amino]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 10267528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).