2-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-6-N-[(2R)-2-phenylpropyl]pyridine-2,6-dicarboxamide

C24H23N5O2S — CID 59406393

IUPAC2-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-6-N-[(2R)-2-phenylpropyl]pyridine-2,6-dicarboxamide
SMILESC[C@@H](CNC(=O)c1cccc(C(=O)NCc2ccc3nc(N)sc3c2)n1)c1ccccc1
InChIInChI=1S/C24H23N5O2S/c1-15(17-6-3-2-4-7-17)13-26-22(30)19-8-5-9-20(28-19)23(31)27-14-16-10-11-18-21(12-16)32-24(25)29-18/h2-12,15H,13-14H2,1H3,(H2,25,29)(H,26,30)(H,27,31)/t15-/m0/s1
InChIKeyWTTRWEXMBVDZDT-HNNXBMFYSA-N
MW445.55 g/mol
LogP3.74
Rot. Bonds7

About 2-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-6-N-[(2R)-2-phenylpropyl]pyridine-2,6-dicarboxamide

2-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-6-N-[(2R)-2-phenylpropyl]pyridine-2,6-dicarboxamide (PubChem CID 59406393) has the molecular formula C24H23N5O2S and a molecular weight of 445.55 g/mol. Its IUPAC name is 2-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-6-N-[(2R)-2-phenylpropyl]pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-6-N-[(2R)-2-phenylpropyl]pyridine-2,6-dicarboxamide
PubChem CID59406393
Molecular FormulaC24H23N5O2S
Molecular Weight445.55 g/mol
Exact Mass445.16
IUPAC Name2-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-6-N-[(2R)-2-phenylpropyl]pyridine-2,6-dicarboxamide
SMILESC[C@@H](CNC(=O)c1cccc(C(=O)NCc2ccc3nc(N)sc3c2)n1)c1ccccc1
InChIInChI=1S/C24H23N5O2S/c1-15(17-6-3-2-4-7-17)13-26-22(30)19-8-5-9-20(28-19)23(31)27-14-16-10-11-18-21(12-16)32-24(25)29-18/h2-12,15H,13-14H2,1H3,(H2,25,29)(H,26,30)(H,27,31)/t15-/m0/s1
InChIKeyWTTRWEXMBVDZDT-HNNXBMFYSA-N
XLogP3.74
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.55
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-6-N-[(2R)-2-phenylpropyl]pyridine-2,6-dicarboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-6-N-[(2R)-2-phenylpropyl]pyridine-2,6-dicarboxamide?
The IUPAC name of 2-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-6-N-[(2R)-2-phenylpropyl]pyridine-2,6-dicarboxamide (CID 59406393) is 2-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-6-N-[(2R)-2-phenylpropyl]pyridine-2,6-dicarboxamide.
What is the SMILES notation for 2-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-6-N-[(2R)-2-phenylpropyl]pyridine-2,6-dicarboxamide?
The canonical SMILES for 2-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-6-N-[(2R)-2-phenylpropyl]pyridine-2,6-dicarboxamide is C[C@@H](CNC(=O)c1cccc(C(=O)NCc2ccc3nc(N)sc3c2)n1)c1ccccc1.
What is the InChIKey of 2-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-6-N-[(2R)-2-phenylpropyl]pyridine-2,6-dicarboxamide?
The InChIKey is WTTRWEXMBVDZDT-HNNXBMFYSA-N. The full InChI is InChI=1S/C24H23N5O2S/c1-15(17-6-3-2-4-7-17)13-26-22(30)19-8-5-9-20(28-19)23(31)27-14-16-10-11-18-21(12-16)32-24(25)29-18/h2-12,15H,13-14H2,1H3,(H2,25,29)(H,26,30)(H,27,31)/t15-/m0/s1.
What are the key properties of 2-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-6-N-[(2R)-2-phenylpropyl]pyridine-2,6-dicarboxamide?
2-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-6-N-[(2R)-2-phenylpropyl]pyridine-2,6-dicarboxamide has a molecular weight of 445.55 g/mol, XLogP of 3.74, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-6-N-[(2R)-2-phenylpropyl]pyridine-2,6-dicarboxamide is sourced from PubChem (CID 59406393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).