3-amino-4-[methyl(2-pyridin-2-ylethyl)amino]thieno[2,3-b]pyridin-7-ium-2-carboxamide

C16H18N5OS+ — CID 146895038

IUPAC3-amino-4-[methyl(2-pyridin-2-ylethyl)amino]thieno[2,3-b]pyridin-7-ium-2-carboxamide
SMILESCN(CCc1ccccn1)c1cc[nH+]c2sc(C(N)=O)c(N)c12
InChIInChI=1S/C16H17N5OS/c1-21(9-6-10-4-2-3-7-19-10)11-5-8-20-16-12(11)13(17)14(23-16)15(18)22/h2-5,7-8H,6,9,17H2,1H3,(H2,18,22)/p+1
InChIKeyTWLXKQYHOKJJSE-UHFFFAOYSA-O
MW328.42 g/mol
LogP1.47
Rot. Bonds5

About 3-amino-4-[methyl(2-pyridin-2-ylethyl)amino]thieno[2,3-b]pyridin-7-ium-2-carboxamide

3-amino-4-[methyl(2-pyridin-2-ylethyl)amino]thieno[2,3-b]pyridin-7-ium-2-carboxamide (PubChem CID 146895038) has the molecular formula C16H18N5OS+ and a molecular weight of 328.42 g/mol. Its IUPAC name is 3-amino-4-[methyl(2-pyridin-2-ylethyl)amino]thieno[2,3-b]pyridin-7-ium-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-[methyl(2-pyridin-2-ylethyl)amino]thieno[2,3-b]pyridin-7-ium-2-carboxamide
PubChem CID146895038
Molecular FormulaC16H18N5OS+
Molecular Weight328.42 g/mol
Exact Mass328.12
IUPAC Name3-amino-4-[methyl(2-pyridin-2-ylethyl)amino]thieno[2,3-b]pyridin-7-ium-2-carboxamide
SMILESCN(CCc1ccccn1)c1cc[nH+]c2sc(C(N)=O)c(N)c12
InChIInChI=1S/C16H17N5OS/c1-21(9-6-10-4-2-3-7-19-10)11-5-8-20-16-12(11)13(17)14(23-16)15(18)22/h2-5,7-8H,6,9,17H2,1H3,(H2,18,22)/p+1
InChIKeyTWLXKQYHOKJJSE-UHFFFAOYSA-O
XLogP1.47
TPSA99.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-amino-4-[methyl(2-pyridin-2-ylethyl)amino]thieno[2,3-b]pyridin-7-ium-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-5-[methyl(2-pyridin-2-ylethyl)amino]benzamide
CID 61306751
3,5-difluoro-1-N-methyl-1-N-(2-pyridin-2-ylethyl)benzene-1,2-diamine
CID 115506438
3-amino-4-cyclopropyl-5-[methyl(pyridin-2-ylmethyl)amino]thiophene-2-carboxamide
CID 103509018
2-(1-aminoethyl)-N-methyl-N-(2-pyridin-2-ylethyl)aniline
CID 43188910
2-amino-4-[methyl(2-pyridin-2-ylethyl)amino]benzoic acid
CID 104500194
N-methyl-5-propan-2-yl-N-(2-pyridin-2-ylethyl)-1,3,4-thiadiazol-2-amine
CID 133381833
2-iodo-1-N-methyl-1-N-(2-pyridin-2-ylethyl)benzene-1,4-diamine
CID 66094959
2-fluoro-6-[methyl(2-pyridin-2-ylethyl)amino]benzoic acid
CID 79522521
2-chloro-6-[methyl(2-pyridin-2-ylethyl)amino]benzenecarboximidamide
CID 62502784
2-methyl-3-[methyl(2-pyridin-2-ylethyl)amino]propanoic acid
CID 43538751
[3-methyl-4-[methyl(2-pyridin-2-ylethyl)amino]phenyl]methanol
CID 62121542
(3Z)-3-amino-3-hydroxyimino-N-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 43156182

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[methyl(2-pyridin-2-ylethyl)amino]thieno[2,3-b]pyridin-7-ium-2-carboxamide?
The IUPAC name of 3-amino-4-[methyl(2-pyridin-2-ylethyl)amino]thieno[2,3-b]pyridin-7-ium-2-carboxamide (CID 146895038) is 3-amino-4-[methyl(2-pyridin-2-ylethyl)amino]thieno[2,3-b]pyridin-7-ium-2-carboxamide.
What is the SMILES notation for 3-amino-4-[methyl(2-pyridin-2-ylethyl)amino]thieno[2,3-b]pyridin-7-ium-2-carboxamide?
The canonical SMILES for 3-amino-4-[methyl(2-pyridin-2-ylethyl)amino]thieno[2,3-b]pyridin-7-ium-2-carboxamide is CN(CCc1ccccn1)c1cc[nH+]c2sc(C(N)=O)c(N)c12.
What is the InChIKey of 3-amino-4-[methyl(2-pyridin-2-ylethyl)amino]thieno[2,3-b]pyridin-7-ium-2-carboxamide?
The InChIKey is TWLXKQYHOKJJSE-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H17N5OS/c1-21(9-6-10-4-2-3-7-19-10)11-5-8-20-16-12(11)13(17)14(23-16)15(18)22/h2-5,7-8H,6,9,17H2,1H3,(H2,18,22)/p+1.
What are the key properties of 3-amino-4-[methyl(2-pyridin-2-ylethyl)amino]thieno[2,3-b]pyridin-7-ium-2-carboxamide?
3-amino-4-[methyl(2-pyridin-2-ylethyl)amino]thieno[2,3-b]pyridin-7-ium-2-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[methyl(2-pyridin-2-ylethyl)amino]thieno[2,3-b]pyridin-7-ium-2-carboxamide is sourced from PubChem (CID 146895038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).