N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-(2-hydroxyethyl)-4-(2-methylphenyl)pyridine-3-carboxamide

C24H20F6N2O2 — CID 91253064

IUPACN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-(2-hydroxyethyl)-4-(2-methylphenyl)pyridine-3-carboxamide
SMILESCc1ccccc1-c1cc(CCO)ncc1C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C24H20F6N2O2/c1-14-4-2-3-5-19(14)20-11-18(6-7-33)31-13-21(20)22(34)32-12-15-8-16(23(25,26)27)10-17(9-15)24(28,29)30/h2-5,8-11,13,33H,6-7,12H2,1H3,(H,32,34)
InChIKeyLFXCWVQABBXOGS-UHFFFAOYSA-N
MW482.42 g/mol
LogP5.56
Rot. Bonds6

About N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-(2-hydroxyethyl)-4-(2-methylphenyl)pyridine-3-carboxamide

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-(2-hydroxyethyl)-4-(2-methylphenyl)pyridine-3-carboxamide (PubChem CID 91253064) has the molecular formula C24H20F6N2O2 and a molecular weight of 482.42 g/mol. Its IUPAC name is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-(2-hydroxyethyl)-4-(2-methylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-(2-hydroxyethyl)-4-(2-methylphenyl)pyridine-3-carboxamide
PubChem CID91253064
Molecular FormulaC24H20F6N2O2
Molecular Weight482.42 g/mol
Exact Mass482.14
IUPAC NameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-(2-hydroxyethyl)-4-(2-methylphenyl)pyridine-3-carboxamide
SMILESCc1ccccc1-c1cc(CCO)ncc1C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C24H20F6N2O2/c1-14-4-2-3-5-19(14)20-11-18(6-7-33)31-13-21(20)22(34)32-12-15-8-16(23(25,26)27)10-17(9-15)24(28,29)30/h2-5,8-11,13,33H,6-7,12H2,1H3,(H,32,34)
InChIKeyLFXCWVQABBXOGS-UHFFFAOYSA-N
XLogP5.56
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.42
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-4-(2-methylphenyl)-6-(2-trimethylsilylethynyl)pyridine-3-carboxamide
CID 90961364
N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-4-(2-methylphenyl)-6-piperazin-1-ylpyridine-3-carboxamide
CID 91367279
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(2-bromophenyl)benzamide
CID 54055088
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-(3-hydroxypropoxy)-N-methyl-4-(2-methylphenyl)pyridine-3-carboxamide
CID 10279873
N-[[6-chloro-4-(2-methylphenyl)-3-pyridinyl]methyl]-3,5-bis(trifluoromethyl)benzamide
CID 123776153
N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-naphthalen-1-ylbenzamide
CID 57233630
1-[3,5-bis(trifluoromethyl)phenyl]-N-methylmethanamine;5-(2-methylphenyl)-2-methylsulfanylpyrimidine-4-carboxylic acid
CID 162622665
1-[3,5-bis(trifluoromethyl)phenyl]-N-methylmethanamine;2-methyl-4-naphthalen-1-ylpyrimidine-5-carboxylic acid
CID 171923888
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-(2-methylphenyl)-6-pyridin-2-ylsulfonylpyridine-3-carboxamide
CID 10145228
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-(2-methylphenyl)-6-(pyridine-4-carbonyl)pyridine-3-carboxamide
CID 23502866
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-(4-methoxyphenyl)-N-methyl-4-(2-methylphenyl)pyridine-3-carboxamide
CID 23502810
N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-4-phenylpyridine-3-carboxamide
CID 91184668

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-(2-hydroxyethyl)-4-(2-methylphenyl)pyridine-3-carboxamide?
The IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-(2-hydroxyethyl)-4-(2-methylphenyl)pyridine-3-carboxamide (CID 91253064) is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-(2-hydroxyethyl)-4-(2-methylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-(2-hydroxyethyl)-4-(2-methylphenyl)pyridine-3-carboxamide?
The canonical SMILES for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-(2-hydroxyethyl)-4-(2-methylphenyl)pyridine-3-carboxamide is Cc1ccccc1-c1cc(CCO)ncc1C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-(2-hydroxyethyl)-4-(2-methylphenyl)pyridine-3-carboxamide?
The InChIKey is LFXCWVQABBXOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F6N2O2/c1-14-4-2-3-5-19(14)20-11-18(6-7-33)31-13-21(20)22(34)32-12-15-8-16(23(25,26)27)10-17(9-15)24(28,29)30/h2-5,8-11,13,33H,6-7,12H2,1H3,(H,32,34).
What are the key properties of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-(2-hydroxyethyl)-4-(2-methylphenyl)pyridine-3-carboxamide?
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-(2-hydroxyethyl)-4-(2-methylphenyl)pyridine-3-carboxamide has a molecular weight of 482.42 g/mol, XLogP of 5.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-(2-hydroxyethyl)-4-(2-methylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 91253064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).