6-methyl-N-[(4-methylsulfinylphenyl)methyl]-4-oxo-5-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxamide

C22H19F3N2O3S — CID 144577039

IUPAC6-methyl-N-[(4-methylsulfinylphenyl)methyl]-4-oxo-5-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxamide
SMILESCc1[nH]cc(C(=O)NCc2ccc(S(C)=O)cc2)c(=O)c1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H19F3N2O3S/c1-13-19(15-4-3-5-16(10-15)22(23,24)25)20(28)18(12-26-13)21(29)27-11-14-6-8-17(9-7-14)31(2)30/h3-10,12H,11H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyMASLCQXMQVWJFD-UHFFFAOYSA-N
MW448.47 g/mol
LogP4.04
Rot. Bonds5

About 6-methyl-N-[(4-methylsulfinylphenyl)methyl]-4-oxo-5-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxamide

6-methyl-N-[(4-methylsulfinylphenyl)methyl]-4-oxo-5-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxamide (PubChem CID 144577039) has the molecular formula C22H19F3N2O3S and a molecular weight of 448.47 g/mol. Its IUPAC name is 6-methyl-N-[(4-methylsulfinylphenyl)methyl]-4-oxo-5-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[(4-methylsulfinylphenyl)methyl]-4-oxo-5-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxamide
PubChem CID144577039
Molecular FormulaC22H19F3N2O3S
Molecular Weight448.47 g/mol
Exact Mass448.11
IUPAC Name6-methyl-N-[(4-methylsulfinylphenyl)methyl]-4-oxo-5-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxamide
SMILESCc1[nH]cc(C(=O)NCc2ccc(S(C)=O)cc2)c(=O)c1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H19F3N2O3S/c1-13-19(15-4-3-5-16(10-15)22(23,24)25)20(28)18(12-26-13)21(29)27-11-14-6-8-17(9-7-14)31(2)30/h3-10,12H,11H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyMASLCQXMQVWJFD-UHFFFAOYSA-N
XLogP4.04
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.47
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[3-(difluoromethyl)phenyl]-6-methyl-N-[(4-methylsulfinylphenyl)methyl]-4-oxo-1-propan-2-ylpyridine-3-carboxamide
CID 127053924
N-[(4-cyclopropylsulfonylphenyl)methyl]-6-methyl-4-oxo-1-propan-2-yl-5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 73296560
N-[[4-(N-cyano-S-methylsulfonimidoyl)phenyl]methyl]-1-[(4-cyanophenyl)methyl]-6-methyl-4-oxo-5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 73050887
1-[(2S)-1-methoxypropan-2-yl]-6-methyl-N-[(4-methylsulfonylphenyl)methyl]-4-oxo-5-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 154376499
2,4,5-trimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 100712114
N-[[4-(N-cyano-S-methylsulfonimidoyl)phenyl]methyl]-6-methyl-1-(2-methylpyrazol-3-yl)-4-oxo-5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 73332357
1-ethyl-6-methyl-N-[(5-methylsulfonyl-2-pyridinyl)methyl]-4-oxo-5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 127053905
2-methyl-5-[(4-methylsulfonylphenyl)methylcarbamoyl]-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-sulfonic acid
CID 11847627
2-sulfanylidene-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carboxamide
CID 43046537
N-[[4-[(cyanoamino)-methylidene-oxo-λ6-sulfanyl]phenyl]methyl]-1-[(4-cyanophenyl)methyl]-6-methyl-4-oxo-5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 123685161
5-(3-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide
CID 71824448
N-[[4-[(cyanoamino)-methylidene-oxo-λ6-sulfanyl]-3-fluorophenyl]methyl]-6-methyl-4-oxo-1-propan-2-yl-5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 123398999

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[(4-methylsulfinylphenyl)methyl]-4-oxo-5-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxamide?
The IUPAC name of 6-methyl-N-[(4-methylsulfinylphenyl)methyl]-4-oxo-5-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxamide (CID 144577039) is 6-methyl-N-[(4-methylsulfinylphenyl)methyl]-4-oxo-5-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-N-[(4-methylsulfinylphenyl)methyl]-4-oxo-5-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-N-[(4-methylsulfinylphenyl)methyl]-4-oxo-5-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxamide is Cc1[nH]cc(C(=O)NCc2ccc(S(C)=O)cc2)c(=O)c1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 6-methyl-N-[(4-methylsulfinylphenyl)methyl]-4-oxo-5-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxamide?
The InChIKey is MASLCQXMQVWJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N2O3S/c1-13-19(15-4-3-5-16(10-15)22(23,24)25)20(28)18(12-26-13)21(29)27-11-14-6-8-17(9-7-14)31(2)30/h3-10,12H,11H2,1-2H3,(H,26,28)(H,27,29).
What are the key properties of 6-methyl-N-[(4-methylsulfinylphenyl)methyl]-4-oxo-5-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxamide?
6-methyl-N-[(4-methylsulfinylphenyl)methyl]-4-oxo-5-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxamide has a molecular weight of 448.47 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[(4-methylsulfinylphenyl)methyl]-4-oxo-5-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 144577039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).