N-[(2-amino-3-fluoroquinolin-7-yl)methyl]-N-(4-fluoro-2-methylsulfonylphenyl)-4,6-dimethylpyridine-3-carboxamide

C25H22F2N4O3S — CID 171501728

IUPACN-[(2-amino-3-fluoroquinolin-7-yl)methyl]-N-(4-fluoro-2-methylsulfonylphenyl)-4,6-dimethylpyridine-3-carboxamide
SMILESCc1cc(C)c(C(=O)N(Cc2ccc3cc(F)c(N)nc3c2)c2ccc(F)cc2S(C)(=O)=O)cn1
InChIInChI=1S/C25H22F2N4O3S/c1-14-8-15(2)29-12-19(14)25(32)31(22-7-6-18(26)11-23(22)35(3,33)34)13-16-4-5-17-10-20(27)24(28)30-21(17)9-16/h4-12H,13H2,1-3H3,(H2,28,30)
InChIKeyNFNXHXUEVISBOE-UHFFFAOYSA-N
MW496.54 g/mol
LogP4.36
Rot. Bonds5

About N-[(2-amino-3-fluoroquinolin-7-yl)methyl]-N-(4-fluoro-2-methylsulfonylphenyl)-4,6-dimethylpyridine-3-carboxamide

N-[(2-amino-3-fluoroquinolin-7-yl)methyl]-N-(4-fluoro-2-methylsulfonylphenyl)-4,6-dimethylpyridine-3-carboxamide (PubChem CID 171501728) has the molecular formula C25H22F2N4O3S and a molecular weight of 496.54 g/mol. Its IUPAC name is N-[(2-amino-3-fluoroquinolin-7-yl)methyl]-N-(4-fluoro-2-methylsulfonylphenyl)-4,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-amino-3-fluoroquinolin-7-yl)methyl]-N-(4-fluoro-2-methylsulfonylphenyl)-4,6-dimethylpyridine-3-carboxamide
PubChem CID171501728
Molecular FormulaC25H22F2N4O3S
Molecular Weight496.54 g/mol
Exact Mass496.14
IUPAC NameN-[(2-amino-3-fluoroquinolin-7-yl)methyl]-N-(4-fluoro-2-methylsulfonylphenyl)-4,6-dimethylpyridine-3-carboxamide
SMILESCc1cc(C)c(C(=O)N(Cc2ccc3cc(F)c(N)nc3c2)c2ccc(F)cc2S(C)(=O)=O)cn1
InChIInChI=1S/C25H22F2N4O3S/c1-14-8-15(2)29-12-19(14)25(32)31(22-7-6-18(26)11-23(22)35(3,33)34)13-16-4-5-17-10-20(27)24(28)30-21(17)9-16/h4-12H,13H2,1-3H3,(H2,28,30)
InChIKeyNFNXHXUEVISBOE-UHFFFAOYSA-N
XLogP4.36
TPSA106.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.54
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-chloroquinolin-7-yl)methyl]-N-(4-fluoro-2-methylsulfonylphenyl)-2-methylpyrimidine-5-carboxamide
CID 171502168
N-[(4-amino-1,3-dihydrofuro[3,4-c]quinolin-7-yl)methyl]-6-(1-cyanocyclopropyl)-N-(4-fluoro-2-methylsulfonylphenyl)pyridine-3-carboxamide
CID 172605483
N-[(2-amino-3-fluoroquinolin-7-yl)methyl]-N-(5-methyl-2-methylsulfonyl-3-pyridinyl)-2-(trifluoromethyl)pyrimidine-5-carboxamide
CID 171501305
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-(5-methyl-2-methylsulfonyl-3-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 171501309
N-[(3-amino-4-bromophenyl)methyl]-N-(4-fluoro-2-methylsulfonylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 172605405
7-[(N-acetyl-2-methylsulfonylanilino)methyl]-2-aminoquinoline-3-carboxamide
CID 171502116
N-[(2-chloro-3-fluoroquinolin-7-yl)methyl]-6-cyclopropyl-N-(2-methylsulfonylphenyl)pyridine-3-carboxamide
CID 171502044
N-[(4-bromo-1-methylpyrazolo[4,5-c]quinolin-7-yl)methyl]-6-(3,3-difluoropyrrolidin-1-yl)-N-(4-fluoro-2-methylsulfonylphenyl)pyridine-3-carboxamide
CID 172605366
N-[(2-aminoquinolin-7-yl)methyl]-N-(2-methylsulfonylphenyl)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 171501151
N-[(2-chloro-3-fluoroquinolin-7-yl)methyl]-N-(2-methylsulfonyl-3-pyridinyl)-2-pyrimidin-2-ylacetamide
CID 171501412
N-[(2-chloroquinolin-7-yl)methyl]-N-(2-methylsulfonylphenyl)pyridine-2-carboxamide
CID 171501824

Frequently Asked Questions

What is the IUPAC name of N-[(2-amino-3-fluoroquinolin-7-yl)methyl]-N-(4-fluoro-2-methylsulfonylphenyl)-4,6-dimethylpyridine-3-carboxamide?
The IUPAC name of N-[(2-amino-3-fluoroquinolin-7-yl)methyl]-N-(4-fluoro-2-methylsulfonylphenyl)-4,6-dimethylpyridine-3-carboxamide (CID 171501728) is N-[(2-amino-3-fluoroquinolin-7-yl)methyl]-N-(4-fluoro-2-methylsulfonylphenyl)-4,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for N-[(2-amino-3-fluoroquinolin-7-yl)methyl]-N-(4-fluoro-2-methylsulfonylphenyl)-4,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for N-[(2-amino-3-fluoroquinolin-7-yl)methyl]-N-(4-fluoro-2-methylsulfonylphenyl)-4,6-dimethylpyridine-3-carboxamide is Cc1cc(C)c(C(=O)N(Cc2ccc3cc(F)c(N)nc3c2)c2ccc(F)cc2S(C)(=O)=O)cn1.
What is the InChIKey of N-[(2-amino-3-fluoroquinolin-7-yl)methyl]-N-(4-fluoro-2-methylsulfonylphenyl)-4,6-dimethylpyridine-3-carboxamide?
The InChIKey is NFNXHXUEVISBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F2N4O3S/c1-14-8-15(2)29-12-19(14)25(32)31(22-7-6-18(26)11-23(22)35(3,33)34)13-16-4-5-17-10-20(27)24(28)30-21(17)9-16/h4-12H,13H2,1-3H3,(H2,28,30).
What are the key properties of N-[(2-amino-3-fluoroquinolin-7-yl)methyl]-N-(4-fluoro-2-methylsulfonylphenyl)-4,6-dimethylpyridine-3-carboxamide?
N-[(2-amino-3-fluoroquinolin-7-yl)methyl]-N-(4-fluoro-2-methylsulfonylphenyl)-4,6-dimethylpyridine-3-carboxamide has a molecular weight of 496.54 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-amino-3-fluoroquinolin-7-yl)methyl]-N-(4-fluoro-2-methylsulfonylphenyl)-4,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 171501728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).