N-[(2-aminoquinolin-7-yl)methyl]-N-(1,3-benzothiazol-7-yl)pyridine-3-carboxamide

C23H17N5OS — CID 171502375

IUPACN-[(2-aminoquinolin-7-yl)methyl]-N-(1,3-benzothiazol-7-yl)pyridine-3-carboxamide
SMILESNc1ccc2ccc(CN(C(=O)c3cccnc3)c3cccc4ncsc34)cc2n1
InChIInChI=1S/C23H17N5OS/c24-21-9-8-16-7-6-15(11-19(16)27-21)13-28(23(29)17-3-2-10-25-12-17)20-5-1-4-18-22(20)30-14-26-18/h1-12,14H,13H2,(H2,24,27)
InChIKeyLTAUWYAQMADNLO-UHFFFAOYSA-N
MW411.49 g/mol
LogP4.67
Rot. Bonds4

About N-[(2-aminoquinolin-7-yl)methyl]-N-(1,3-benzothiazol-7-yl)pyridine-3-carboxamide

N-[(2-aminoquinolin-7-yl)methyl]-N-(1,3-benzothiazol-7-yl)pyridine-3-carboxamide (PubChem CID 171502375) has the molecular formula C23H17N5OS and a molecular weight of 411.49 g/mol. Its IUPAC name is N-[(2-aminoquinolin-7-yl)methyl]-N-(1,3-benzothiazol-7-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-aminoquinolin-7-yl)methyl]-N-(1,3-benzothiazol-7-yl)pyridine-3-carboxamide
PubChem CID171502375
Molecular FormulaC23H17N5OS
Molecular Weight411.49 g/mol
Exact Mass411.12
IUPAC NameN-[(2-aminoquinolin-7-yl)methyl]-N-(1,3-benzothiazol-7-yl)pyridine-3-carboxamide
SMILESNc1ccc2ccc(CN(C(=O)c3cccnc3)c3cccc4ncsc34)cc2n1
InChIInChI=1S/C23H17N5OS/c24-21-9-8-16-7-6-15(11-19(16)27-21)13-28(23(29)17-3-2-10-25-12-17)20-5-1-4-18-22(20)30-14-26-18/h1-12,14H,13H2,(H2,24,27)
InChIKeyLTAUWYAQMADNLO-UHFFFAOYSA-N
XLogP4.67
TPSA85.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.49
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-aminoquinolin-7-yl)methyl]-N-(2-methylsulfonyl-3-pyridinyl)pyridine-3-carboxamide
CID 171501060
N-[(2-aminoquinolin-7-yl)methyl]-N-[2-(trifluoromethylsulfonyl)phenyl]pyridine-3-carboxamide
CID 171501159
N-[(2-aminoquinolin-7-yl)methyl]-N-(2-dimethylsulfinamoylphenyl)pyridine-3-carboxamide
CID 171501658
N-[(2-aminoquinolin-7-yl)methyl]-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]pyridine-3-carboxamide
CID 171501600
N-[(2-aminoquinolin-7-yl)methyl]-N-[2-(hydroxymethyl)-3-pyridinyl]acetamide
CID 171501102
N-[(2-aminoquinolin-7-yl)methyl]-N-(2-methylsulfonylphenyl)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 171501151
N-[(2-amino-3-fluoroquinolin-7-yl)methyl]-N-(4-fluoro-2-methoxyphenyl)pyridine-3-carboxamide
CID 171501605
N-[(2-amino-3-fluoroquinolin-7-yl)methyl]-N-(4,4-difluoro-1,1-dioxo-2,3-dihydrothiochromen-8-yl)pyridine-3-carboxamide
CID 171501289
N-[(2-aminoquinolin-7-yl)methyl]-2-methoxy-N-(2-methylsulfonyl-3-pyridinyl)acetamide
CID 171502057
N-[(2-aminoquinolin-7-yl)methyl]-N-(5-methyl-2-methylsulfonyl-3-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 171501441
N-[(2-aminoquinolin-7-yl)methyl]-3,3-difluoro-N-(2-methylsulfonyl-3-pyridinyl)cyclobutane-1-carboxamide
CID 171502178
N-(6-bromo-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)-1,3-benzothiazole-6-carboxamide
CID 40983232

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminoquinolin-7-yl)methyl]-N-(1,3-benzothiazol-7-yl)pyridine-3-carboxamide?
The IUPAC name of N-[(2-aminoquinolin-7-yl)methyl]-N-(1,3-benzothiazol-7-yl)pyridine-3-carboxamide (CID 171502375) is N-[(2-aminoquinolin-7-yl)methyl]-N-(1,3-benzothiazol-7-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(2-aminoquinolin-7-yl)methyl]-N-(1,3-benzothiazol-7-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[(2-aminoquinolin-7-yl)methyl]-N-(1,3-benzothiazol-7-yl)pyridine-3-carboxamide is Nc1ccc2ccc(CN(C(=O)c3cccnc3)c3cccc4ncsc34)cc2n1.
What is the InChIKey of N-[(2-aminoquinolin-7-yl)methyl]-N-(1,3-benzothiazol-7-yl)pyridine-3-carboxamide?
The InChIKey is LTAUWYAQMADNLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N5OS/c24-21-9-8-16-7-6-15(11-19(16)27-21)13-28(23(29)17-3-2-10-25-12-17)20-5-1-4-18-22(20)30-14-26-18/h1-12,14H,13H2,(H2,24,27).
What are the key properties of N-[(2-aminoquinolin-7-yl)methyl]-N-(1,3-benzothiazol-7-yl)pyridine-3-carboxamide?
N-[(2-aminoquinolin-7-yl)methyl]-N-(1,3-benzothiazol-7-yl)pyridine-3-carboxamide has a molecular weight of 411.49 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminoquinolin-7-yl)methyl]-N-(1,3-benzothiazol-7-yl)pyridine-3-carboxamide is sourced from PubChem (CID 171502375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).