N-[(2-aminoquinolin-7-yl)methyl]-N-(5-methyl-2-methylsulfonyl-3-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide

C24H20F3N5O3S — CID 171501441

IUPACN-[(2-aminoquinolin-7-yl)methyl]-N-(5-methyl-2-methylsulfonyl-3-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1cnc(S(C)(=O)=O)c(N(Cc2ccc3ccc(N)nc3c2)C(=O)c2cncc(C(F)(F)F)c2)c1
InChIInChI=1S/C24H20F3N5O3S/c1-14-7-20(22(30-10-14)36(2,34)35)32(23(33)17-9-18(12-29-11-17)24(25,26)27)13-15-3-4-16-5-6-21(28)31-19(16)8-15/h3-12H,13H2,1-2H3,(H2,28,31)
InChIKeyZTFGPYFTLDILKU-UHFFFAOYSA-N
MW515.52 g/mol
LogP4.18
Rot. Bonds5

About N-[(2-aminoquinolin-7-yl)methyl]-N-(5-methyl-2-methylsulfonyl-3-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide

N-[(2-aminoquinolin-7-yl)methyl]-N-(5-methyl-2-methylsulfonyl-3-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 171501441) has the molecular formula C24H20F3N5O3S and a molecular weight of 515.52 g/mol. Its IUPAC name is N-[(2-aminoquinolin-7-yl)methyl]-N-(5-methyl-2-methylsulfonyl-3-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-aminoquinolin-7-yl)methyl]-N-(5-methyl-2-methylsulfonyl-3-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID171501441
Molecular FormulaC24H20F3N5O3S
Molecular Weight515.52 g/mol
Exact Mass515.12
IUPAC NameN-[(2-aminoquinolin-7-yl)methyl]-N-(5-methyl-2-methylsulfonyl-3-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1cnc(S(C)(=O)=O)c(N(Cc2ccc3ccc(N)nc3c2)C(=O)c2cncc(C(F)(F)F)c2)c1
InChIInChI=1S/C24H20F3N5O3S/c1-14-7-20(22(30-10-14)36(2,34)35)32(23(33)17-9-18(12-29-11-17)24(25,26)27)13-15-3-4-16-5-6-21(28)31-19(16)8-15/h3-12H,13H2,1-2H3,(H2,28,31)
InChIKeyZTFGPYFTLDILKU-UHFFFAOYSA-N
XLogP4.18
TPSA119.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.52
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2-amino-3-fluoroquinolin-7-yl)methyl]-N-(5-methyl-2-methylsulfonyl-3-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 171501309
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-(5-methyl-2-methylsulfonyl-3-pyridinyl)-2-(trifluoromethyl)pyrimidine-5-carboxamide
CID 171501305
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]-2-methoxy-N-(2-methylsulfonyl-3-pyridinyl)acetamide
CID 171502057
(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]-3,3-difluoro-N-(2-methylsulfonyl-3-pyridinyl)cyclobutane-1-carboxamide
CID 171502178
N-[(2-aminoquinolin-7-yl)methyl]-N-(1,3-benzothiazol-7-yl)pyridine-3-carboxamide
CID 171502375
N-[(2-methylquinolin-7-yl)methyl]-N-(2-methylsulfonyl-3-pyridinyl)acetamide
CID 171501797
N-[(2-chloroquinolin-7-yl)methyl]-N-(4-fluoro-2-methylsulfonylphenyl)-2-methylpyrimidine-5-carboxamide
CID 171502168
N-[(2-aminoquinolin-7-yl)methyl]-N-(2-dimethylsulfinamoylphenyl)pyridine-3-carboxamide
CID 171501658

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminoquinolin-7-yl)methyl]-N-(5-methyl-2-methylsulfonyl-3-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[(2-aminoquinolin-7-yl)methyl]-N-(5-methyl-2-methylsulfonyl-3-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide (CID 171501441) is N-[(2-aminoquinolin-7-yl)methyl]-N-(5-methyl-2-methylsulfonyl-3-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(2-aminoquinolin-7-yl)methyl]-N-(5-methyl-2-methylsulfonyl-3-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[(2-aminoquinolin-7-yl)methyl]-N-(5-methyl-2-methylsulfonyl-3-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide is Cc1cnc(S(C)(=O)=O)c(N(Cc2ccc3ccc(N)nc3c2)C(=O)c2cncc(C(F)(F)F)c2)c1.
What is the InChIKey of N-[(2-aminoquinolin-7-yl)methyl]-N-(5-methyl-2-methylsulfonyl-3-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is ZTFGPYFTLDILKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N5O3S/c1-14-7-20(22(30-10-14)36(2,34)35)32(23(33)17-9-18(12-29-11-17)24(25,26)27)13-15-3-4-16-5-6-21(28)31-19(16)8-15/h3-12H,13H2,1-2H3,(H2,28,31).
What are the key properties of N-[(2-aminoquinolin-7-yl)methyl]-N-(5-methyl-2-methylsulfonyl-3-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide?
N-[(2-aminoquinolin-7-yl)methyl]-N-(5-methyl-2-methylsulfonyl-3-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 515.52 g/mol, XLogP of 4.18, 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-(5-methyl-2-methylsulfonyl-3-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 171501441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).