N-(1,3-benzothiazol-5-yl)-2-[(dimethylcarbamoylamino)methyl]pyridine-4-carboxamide

C17H17N5O2S — CID 112525731

IUPACN-(1,3-benzothiazol-5-yl)-2-[(dimethylcarbamoylamino)methyl]pyridine-4-carboxamide
SMILESCN(C)C(=O)NCc1cc(C(=O)Nc2ccc3scnc3c2)ccn1
InChIInChI=1S/C17H17N5O2S/c1-22(2)17(24)19-9-13-7-11(5-6-18-13)16(23)21-12-3-4-15-14(8-12)20-10-25-15/h3-8,10H,9H2,1-2H3,(H,19,24)(H,21,23)
InChIKeyXWVGSRNKEOKNIF-UHFFFAOYSA-N
MW355.42 g/mol
LogP2.71
Rot. Bonds4

About N-(1,3-benzothiazol-5-yl)-2-[(dimethylcarbamoylamino)methyl]pyridine-4-carboxamide

N-(1,3-benzothiazol-5-yl)-2-[(dimethylcarbamoylamino)methyl]pyridine-4-carboxamide (PubChem CID 112525731) has the molecular formula C17H17N5O2S and a molecular weight of 355.42 g/mol. Its IUPAC name is N-(1,3-benzothiazol-5-yl)-2-[(dimethylcarbamoylamino)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-5-yl)-2-[(dimethylcarbamoylamino)methyl]pyridine-4-carboxamide
PubChem CID112525731
Molecular FormulaC17H17N5O2S
Molecular Weight355.42 g/mol
Exact Mass355.11
IUPAC NameN-(1,3-benzothiazol-5-yl)-2-[(dimethylcarbamoylamino)methyl]pyridine-4-carboxamide
SMILESCN(C)C(=O)NCc1cc(C(=O)Nc2ccc3scnc3c2)ccn1
InChIInChI=1S/C17H17N5O2S/c1-22(2)17(24)19-9-13-7-11(5-6-18-13)16(23)21-12-3-4-15-14(8-12)20-10-25-15/h3-8,10H,9H2,1-2H3,(H,19,24)(H,21,23)
InChIKeyXWVGSRNKEOKNIF-UHFFFAOYSA-N
XLogP2.71
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(1,3-benzothiazol-5-yl)-2-[(dimethylcarbamoylamino)methyl]pyridine-4-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

N-(1,3-benzothiazol-5-yl)-1,3-benzothiazole-5-carboxamide
CID 131934820
2-[(dimethylcarbamoylamino)methyl]-N-(2-oxo-3H-1,3-benzoxazol-6-yl)pyridine-4-carboxamide
CID 112522991
2-[(dimethylcarbamoylamino)methyl]-N-(2-methylphenyl)pyridine-4-carboxamide
CID 112520469
2-[(dimethylcarbamoylamino)methyl]-N-(1H-pyrazol-5-yl)pyridine-4-carboxamide
CID 112524647
N-[2-(dimethylamino)ethyl]-2-[(dimethylcarbamoylamino)methyl]pyridine-4-carboxamide
CID 112520177
2-[(dimethylcarbamoylamino)methyl]-N-(2-ethoxyphenyl)pyridine-4-carboxamide
CID 112522687
2-[(dimethylcarbamoylamino)methyl]-N-(5-methyl-1H-pyrazol-4-yl)pyridine-4-carboxamide
CID 112521754
N-(1,3-benzothiazol-5-yl)-3,4,5-trimethoxybenzamide
CID 18585505
N-(1,3-benzothiazol-5-yl)-3-methylsulfonylbenzamide
CID 18585554
N-(1,3-benzothiazol-5-yl)-4-butoxybenzamide
CID 18585507
N-(1,3-benzothiazol-5-yl)-4-[methyl(prop-2-enoyl)amino]benzamide
CID 166413965
N-(1,3-benzothiazol-5-yl)-3-methylthiophene-2-carboxamide
CID 112525687

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-5-yl)-2-[(dimethylcarbamoylamino)methyl]pyridine-4-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-5-yl)-2-[(dimethylcarbamoylamino)methyl]pyridine-4-carboxamide (CID 112525731) is N-(1,3-benzothiazol-5-yl)-2-[(dimethylcarbamoylamino)methyl]pyridine-4-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-5-yl)-2-[(dimethylcarbamoylamino)methyl]pyridine-4-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-5-yl)-2-[(dimethylcarbamoylamino)methyl]pyridine-4-carboxamide is CN(C)C(=O)NCc1cc(C(=O)Nc2ccc3scnc3c2)ccn1.
What is the InChIKey of N-(1,3-benzothiazol-5-yl)-2-[(dimethylcarbamoylamino)methyl]pyridine-4-carboxamide?
The InChIKey is XWVGSRNKEOKNIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2S/c1-22(2)17(24)19-9-13-7-11(5-6-18-13)16(23)21-12-3-4-15-14(8-12)20-10-25-15/h3-8,10H,9H2,1-2H3,(H,19,24)(H,21,23).
What are the key properties of N-(1,3-benzothiazol-5-yl)-2-[(dimethylcarbamoylamino)methyl]pyridine-4-carboxamide?
N-(1,3-benzothiazol-5-yl)-2-[(dimethylcarbamoylamino)methyl]pyridine-4-carboxamide has a molecular weight of 355.42 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-5-yl)-2-[(dimethylcarbamoylamino)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 112525731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).