N-[(2-aminoquinolin-7-yl)methyl]-N-(2-methylsulfonyl-3-pyridinyl)pyridine-3-carboxamide

C22H19N5O3S — CID 171501060

IUPACN-[(2-aminoquinolin-7-yl)methyl]-N-(2-methylsulfonyl-3-pyridinyl)pyridine-3-carboxamide
SMILESCS(=O)(=O)c1ncccc1N(Cc1ccc2ccc(N)nc2c1)C(=O)c1cccnc1
InChIInChI=1S/C22H19N5O3S/c1-31(29,30)21-19(5-3-11-25-21)27(22(28)17-4-2-10-24-13-17)14-15-6-7-16-8-9-20(23)26-18(16)12-15/h2-13H,14H2,1H3,(H2,23,26)
InChIKeyJZBRDAXOLZNMEQ-UHFFFAOYSA-N
MW433.49 g/mol
LogP2.86
Rot. Bonds5

About N-[(2-aminoquinolin-7-yl)methyl]-N-(2-methylsulfonyl-3-pyridinyl)pyridine-3-carboxamide

N-[(2-aminoquinolin-7-yl)methyl]-N-(2-methylsulfonyl-3-pyridinyl)pyridine-3-carboxamide (PubChem CID 171501060) has the molecular formula C22H19N5O3S and a molecular weight of 433.49 g/mol. Its IUPAC name is N-[(2-aminoquinolin-7-yl)methyl]-N-(2-methylsulfonyl-3-pyridinyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-aminoquinolin-7-yl)methyl]-N-(2-methylsulfonyl-3-pyridinyl)pyridine-3-carboxamide
PubChem CID171501060
Molecular FormulaC22H19N5O3S
Molecular Weight433.49 g/mol
Exact Mass433.12
IUPAC NameN-[(2-aminoquinolin-7-yl)methyl]-N-(2-methylsulfonyl-3-pyridinyl)pyridine-3-carboxamide
SMILESCS(=O)(=O)c1ncccc1N(Cc1ccc2ccc(N)nc2c1)C(=O)c1cccnc1
InChIInChI=1S/C22H19N5O3S/c1-31(29,30)21-19(5-3-11-25-21)27(22(28)17-4-2-10-24-13-17)14-15-6-7-16-8-9-20(23)26-18(16)12-15/h2-13H,14H2,1H3,(H2,23,26)
InChIKeyJZBRDAXOLZNMEQ-UHFFFAOYSA-N
XLogP2.86
TPSA119.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2-aminoquinolin-7-yl)methyl]-2-methoxy-N-(2-methylsulfonyl-3-pyridinyl)acetamide
CID 171502057
N-[(2-aminoquinolin-7-yl)methyl]-N-[2-(trifluoromethylsulfonyl)phenyl]pyridine-3-carboxamide
CID 171501159
N-[(2-aminoquinolin-7-yl)methyl]-N-(1,3-benzothiazol-7-yl)pyridine-3-carboxamide
CID 171502375
N-[(2-aminoquinolin-7-yl)methyl]-3,3-difluoro-N-(2-methylsulfonyl-3-pyridinyl)cyclobutane-1-carboxamide
CID 171502178
N-[(2-aminoquinolin-7-yl)methyl]-N-(2-dimethylsulfinamoylphenyl)pyridine-3-carboxamide
CID 171501658
(2Z,4Z)-2,5-diamino-N-[(2-aminoquinolin-7-yl)methyl]-6,6,6-trifluoro-N-(2-methylsulfonyl-3-pyridinyl)hexa-2,4-dienamide
CID 171501271
N-[(2-aminoquinolin-7-yl)methyl]-N-(5-methyl-2-methylsulfonyl-3-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 171501441
N-[(2-methylquinolin-7-yl)methyl]-N-(2-methylsulfonyl-3-pyridinyl)acetamide
CID 171501797
N-[(2-amino-3-chloroquinolin-7-yl)methyl]-2-cyclopropyl-N-(2-methylsulfonyl-3-pyridinyl)pyrimidine-5-carboxamide
CID 171501220
N-[(2-aminoquinolin-7-yl)methyl]-N-(2-methylsulfonylphenyl)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 171501151
N-[(2-chloro-3-methylquinolin-7-yl)methyl]-6-cyclopropyl-N-(2-methylsulfonyl-3-pyridinyl)pyridine-3-carboxamide
CID 171501529
N-[(2-chloro-3-fluoroquinolin-7-yl)methyl]-N-(2-methylsulfonyl-3-pyridinyl)-2-pyrimidin-2-ylacetamide
CID 171501412

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminoquinolin-7-yl)methyl]-N-(2-methylsulfonyl-3-pyridinyl)pyridine-3-carboxamide?
The IUPAC name of N-[(2-aminoquinolin-7-yl)methyl]-N-(2-methylsulfonyl-3-pyridinyl)pyridine-3-carboxamide (CID 171501060) is N-[(2-aminoquinolin-7-yl)methyl]-N-(2-methylsulfonyl-3-pyridinyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(2-aminoquinolin-7-yl)methyl]-N-(2-methylsulfonyl-3-pyridinyl)pyridine-3-carboxamide?
The canonical SMILES for N-[(2-aminoquinolin-7-yl)methyl]-N-(2-methylsulfonyl-3-pyridinyl)pyridine-3-carboxamide is CS(=O)(=O)c1ncccc1N(Cc1ccc2ccc(N)nc2c1)C(=O)c1cccnc1.
What is the InChIKey of N-[(2-aminoquinolin-7-yl)methyl]-N-(2-methylsulfonyl-3-pyridinyl)pyridine-3-carboxamide?
The InChIKey is JZBRDAXOLZNMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O3S/c1-31(29,30)21-19(5-3-11-25-21)27(22(28)17-4-2-10-24-13-17)14-15-6-7-16-8-9-20(23)26-18(16)12-15/h2-13H,14H2,1H3,(H2,23,26).
What are the key properties of N-[(2-aminoquinolin-7-yl)methyl]-N-(2-methylsulfonyl-3-pyridinyl)pyridine-3-carboxamide?
N-[(2-aminoquinolin-7-yl)methyl]-N-(2-methylsulfonyl-3-pyridinyl)pyridine-3-carboxamide has a molecular weight of 433.49 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminoquinolin-7-yl)methyl]-N-(2-methylsulfonyl-3-pyridinyl)pyridine-3-carboxamide is sourced from PubChem (CID 171501060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).