2-[(6-cyano-1,3-benzothiazol-2-yl)amino]-N-methyl-N-pyrrolidin-3-ylpyridine-4-carboxamide

C19H18N6OS — CID 90121735

IUPAC2-[(6-cyano-1,3-benzothiazol-2-yl)amino]-N-methyl-N-pyrrolidin-3-ylpyridine-4-carboxamide
SMILESCN(C(=O)c1ccnc(Nc2nc3ccc(C#N)cc3s2)c1)C1CCNC1
InChIInChI=1S/C19H18N6OS/c1-25(14-5-6-21-11-14)18(26)13-4-7-22-17(9-13)24-19-23-15-3-2-12(10-20)8-16(15)27-19/h2-4,7-9,14,21H,5-6,11H2,1H3,(H,22,23,24)
InChIKeyPTOXHHJFDCCMHQ-UHFFFAOYSA-N
MW378.46 g/mol
LogP2.74
Rot. Bonds4

About 2-[(6-cyano-1,3-benzothiazol-2-yl)amino]-N-methyl-N-pyrrolidin-3-ylpyridine-4-carboxamide

2-[(6-cyano-1,3-benzothiazol-2-yl)amino]-N-methyl-N-pyrrolidin-3-ylpyridine-4-carboxamide (PubChem CID 90121735) has the molecular formula C19H18N6OS and a molecular weight of 378.46 g/mol. Its IUPAC name is 2-[(6-cyano-1,3-benzothiazol-2-yl)amino]-N-methyl-N-pyrrolidin-3-ylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-[(6-cyano-1,3-benzothiazol-2-yl)amino]-N-methyl-N-pyrrolidin-3-ylpyridine-4-carboxamide
PubChem CID90121735
Molecular FormulaC19H18N6OS
Molecular Weight378.46 g/mol
Exact Mass378.13
IUPAC Name2-[(6-cyano-1,3-benzothiazol-2-yl)amino]-N-methyl-N-pyrrolidin-3-ylpyridine-4-carboxamide
SMILESCN(C(=O)c1ccnc(Nc2nc3ccc(C#N)cc3s2)c1)C1CCNC1
InChIInChI=1S/C19H18N6OS/c1-25(14-5-6-21-11-14)18(26)13-4-7-22-17(9-13)24-19-23-15-3-2-12(10-20)8-16(15)27-19/h2-4,7-9,14,21H,5-6,11H2,1H3,(H,22,23,24)
InChIKeyPTOXHHJFDCCMHQ-UHFFFAOYSA-N
XLogP2.74
TPSA93.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[(6-cyano-1,3-benzothiazol-2-yl)amino]-N-methyl-N-pyrrolidin-3-ylpyridine-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

Frequently Asked Questions

What is the IUPAC name of 2-[(6-cyano-1,3-benzothiazol-2-yl)amino]-N-methyl-N-pyrrolidin-3-ylpyridine-4-carboxamide?
The IUPAC name of 2-[(6-cyano-1,3-benzothiazol-2-yl)amino]-N-methyl-N-pyrrolidin-3-ylpyridine-4-carboxamide (CID 90121735) is 2-[(6-cyano-1,3-benzothiazol-2-yl)amino]-N-methyl-N-pyrrolidin-3-ylpyridine-4-carboxamide.
What is the SMILES notation for 2-[(6-cyano-1,3-benzothiazol-2-yl)amino]-N-methyl-N-pyrrolidin-3-ylpyridine-4-carboxamide?
The canonical SMILES for 2-[(6-cyano-1,3-benzothiazol-2-yl)amino]-N-methyl-N-pyrrolidin-3-ylpyridine-4-carboxamide is CN(C(=O)c1ccnc(Nc2nc3ccc(C#N)cc3s2)c1)C1CCNC1.
What is the InChIKey of 2-[(6-cyano-1,3-benzothiazol-2-yl)amino]-N-methyl-N-pyrrolidin-3-ylpyridine-4-carboxamide?
The InChIKey is PTOXHHJFDCCMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6OS/c1-25(14-5-6-21-11-14)18(26)13-4-7-22-17(9-13)24-19-23-15-3-2-12(10-20)8-16(15)27-19/h2-4,7-9,14,21H,5-6,11H2,1H3,(H,22,23,24).
What are the key properties of 2-[(6-cyano-1,3-benzothiazol-2-yl)amino]-N-methyl-N-pyrrolidin-3-ylpyridine-4-carboxamide?
2-[(6-cyano-1,3-benzothiazol-2-yl)amino]-N-methyl-N-pyrrolidin-3-ylpyridine-4-carboxamide has a molecular weight of 378.46 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-cyano-1,3-benzothiazol-2-yl)amino]-N-methyl-N-pyrrolidin-3-ylpyridine-4-carboxamide is sourced from PubChem (CID 90121735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).