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

C24H19F4N5O3S — CID 171501309

IUPACN-[(2-amino-3-fluoroquinolin-7-yl)methyl]-N-(5-methyl-2-methylsulfonyl-3-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1cnc(S(C)(=O)=O)c(N(Cc2ccc3cc(F)c(N)nc3c2)C(=O)c2cncc(C(F)(F)F)c2)c1
InChIInChI=1S/C24H19F4N5O3S/c1-13-5-20(22(31-9-13)37(2,35)36)33(23(34)16-7-17(11-30-10-16)24(26,27)28)12-14-3-4-15-8-18(25)21(29)32-19(15)6-14/h3-11H,12H2,1-2H3,(H2,29,32)
InChIKeyPIJWQGOZNNHZIM-UHFFFAOYSA-N
MW533.51 g/mol
LogP4.32
Rot. Bonds5

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

N-[(2-amino-3-fluoroquinolin-7-yl)methyl]-N-(5-methyl-2-methylsulfonyl-3-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 171501309) has the molecular formula C24H19F4N5O3S and a molecular weight of 533.51 g/mol. Its IUPAC name is N-[(2-amino-3-fluoroquinolin-7-yl)methyl]-N-(5-methyl-2-methylsulfonyl-3-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-amino-3-fluoroquinolin-7-yl)methyl]-N-(5-methyl-2-methylsulfonyl-3-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID171501309
Molecular FormulaC24H19F4N5O3S
Molecular Weight533.51 g/mol
Exact Mass533.11
IUPAC NameN-[(2-amino-3-fluoroquinolin-7-yl)methyl]-N-(5-methyl-2-methylsulfonyl-3-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1cnc(S(C)(=O)=O)c(N(Cc2ccc3cc(F)c(N)nc3c2)C(=O)c2cncc(C(F)(F)F)c2)c1
InChIInChI=1S/C24H19F4N5O3S/c1-13-5-20(22(31-9-13)37(2,35)36)33(23(34)16-7-17(11-30-10-16)24(26,27)28)12-14-3-4-15-8-18(25)21(29)32-19(15)6-14/h3-11H,12H2,1-2H3,(H2,29,32)
InChIKeyPIJWQGOZNNHZIM-UHFFFAOYSA-N
XLogP4.32
TPSA119.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.51
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2-aminoquinolin-7-yl)methyl]-N-(5-methyl-2-methylsulfonyl-3-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 171501441
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-methylsulfonylphenyl)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 171501151
N-[(2-aminoquinolin-7-yl)methyl]-N-(2-methylsulfonyl-3-pyridinyl)pyridine-3-carboxamide
CID 171501060
N-[(2-amino-3-fluoroquinolin-7-yl)methyl]-N-(4-fluoro-2-methylsulfonylphenyl)-4,6-dimethylpyridine-3-carboxamide
CID 171501728
N-[(2-amino-3-fluoroquinolin-7-yl)methyl]-N-(4-fluoro-2-methoxyphenyl)pyridine-3-carboxamide
CID 171501605
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-(trifluoromethylsulfonyl)phenyl]pyridine-3-carboxamide
CID 171501159
N-[(2-chloro-3-fluoroquinolin-7-yl)methyl]-N-(2-methylsulfonyl-3-pyridinyl)-2-pyrimidin-2-ylacetamide
CID 171501412
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-chloroquinolin-7-yl)methyl]-N-(4-fluoro-2-methylsulfonylphenyl)-2-methylpyrimidine-5-carboxamide
CID 171502168
N-[(2-methylquinolin-7-yl)methyl]-N-(2-methylsulfonyl-3-pyridinyl)acetamide
CID 171501797

Frequently Asked Questions

What is the IUPAC name of N-[(2-amino-3-fluoroquinolin-7-yl)methyl]-N-(5-methyl-2-methylsulfonyl-3-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[(2-amino-3-fluoroquinolin-7-yl)methyl]-N-(5-methyl-2-methylsulfonyl-3-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide (CID 171501309) is N-[(2-amino-3-fluoroquinolin-7-yl)methyl]-N-(5-methyl-2-methylsulfonyl-3-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(2-amino-3-fluoroquinolin-7-yl)methyl]-N-(5-methyl-2-methylsulfonyl-3-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[(2-amino-3-fluoroquinolin-7-yl)methyl]-N-(5-methyl-2-methylsulfonyl-3-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide is Cc1cnc(S(C)(=O)=O)c(N(Cc2ccc3cc(F)c(N)nc3c2)C(=O)c2cncc(C(F)(F)F)c2)c1.
What is the InChIKey of N-[(2-amino-3-fluoroquinolin-7-yl)methyl]-N-(5-methyl-2-methylsulfonyl-3-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is PIJWQGOZNNHZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F4N5O3S/c1-13-5-20(22(31-9-13)37(2,35)36)33(23(34)16-7-17(11-30-10-16)24(26,27)28)12-14-3-4-15-8-18(25)21(29)32-19(15)6-14/h3-11H,12H2,1-2H3,(H2,29,32).
What are the key properties of N-[(2-amino-3-fluoroquinolin-7-yl)methyl]-N-(5-methyl-2-methylsulfonyl-3-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide?
N-[(2-amino-3-fluoroquinolin-7-yl)methyl]-N-(5-methyl-2-methylsulfonyl-3-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 533.51 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-amino-3-fluoroquinolin-7-yl)methyl]-N-(5-methyl-2-methylsulfonyl-3-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 171501309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).