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

C23H18F6N2O2 — CID 91255265

IUPACN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-(hydroxymethyl)-4-(2-methylphenyl)pyridine-3-carboxamide
SMILESCc1ccccc1-c1cc(CO)ncc1C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C23H18F6N2O2/c1-13-4-2-3-5-18(13)19-9-17(12-32)30-11-20(19)21(33)31-10-14-6-15(22(24,25)26)8-16(7-14)23(27,28)29/h2-9,11,32H,10,12H2,1H3,(H,31,33)
InChIKeyJKLMGMCMSVQCAU-UHFFFAOYSA-N
MW468.40 g/mol
LogP5.52
Rot. Bonds5

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

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-(hydroxymethyl)-4-(2-methylphenyl)pyridine-3-carboxamide (PubChem CID 91255265) has the molecular formula C23H18F6N2O2 and a molecular weight of 468.40 g/mol. Its IUPAC name is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-(hydroxymethyl)-4-(2-methylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-(hydroxymethyl)-4-(2-methylphenyl)pyridine-3-carboxamide
PubChem CID91255265
Molecular FormulaC23H18F6N2O2
Molecular Weight468.40 g/mol
Exact Mass468.13
IUPAC NameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-(hydroxymethyl)-4-(2-methylphenyl)pyridine-3-carboxamide
SMILESCc1ccccc1-c1cc(CO)ncc1C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C23H18F6N2O2/c1-13-4-2-3-5-18(13)19-9-17(12-32)30-11-20(19)21(33)31-10-14-6-15(22(24,25)26)8-16(7-14)23(27,28)29/h2-9,11,32H,10,12H2,1H3,(H,31,33)
InChIKeyJKLMGMCMSVQCAU-UHFFFAOYSA-N
XLogP5.52
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.40
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-(3-Chloro-5-(trifluoromethyl)-2-pyridinyl)-2-hydroxyethyl)-2-(trifluoromethyl)benzamide
CID 87667694
2-Hydroxymethyl-4-phenyl-quinoline-3-carboxylic acid 3,5-bis-trifluoromethyl-benzylamide
CID 10458783
N-(2-hydroxy-2-phenylethyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 2812767
4-(3-(2-(hydroxymethyl)pyridin-4-yl)phenyl)-7-methyl-8-(trifluoromethyl)-1H-benzo[b][1,4]diazepin-2(3H)-one
CID 11212447
5-[4-[[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-2-methylphenyl]-N-propan-2-ylpyridine-3-carboxamide
CID 156118171
5-[4-[[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-2-methylphenyl]-2-methyl-N-propan-2-ylpyridine-3-carboxamide
CID 156646561
N-[(3-fluorophenyl)methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide
CID 134474999
N-(4,4-difluorocyclohexyl)-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide
CID 134475007
3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]benzamide
CID 139400387
6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N,N-diisobutylnicotinamide
CID 44413319
N-(cyclopropylmethyl)-6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-propylnicotinamide
CID 44413320
N-[3,5-Bis(trifluoromethyl)benzyl]-2-methyl-4-phenylnicotinamide
CID 54582277

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-(hydroxymethyl)-4-(2-methylphenyl)pyridine-3-carboxamide?
The IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-(hydroxymethyl)-4-(2-methylphenyl)pyridine-3-carboxamide (CID 91255265) is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-(hydroxymethyl)-4-(2-methylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-(hydroxymethyl)-4-(2-methylphenyl)pyridine-3-carboxamide?
The canonical SMILES for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-(hydroxymethyl)-4-(2-methylphenyl)pyridine-3-carboxamide is Cc1ccccc1-c1cc(CO)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-(hydroxymethyl)-4-(2-methylphenyl)pyridine-3-carboxamide?
The InChIKey is JKLMGMCMSVQCAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F6N2O2/c1-13-4-2-3-5-18(13)19-9-17(12-32)30-11-20(19)21(33)31-10-14-6-15(22(24,25)26)8-16(7-14)23(27,28)29/h2-9,11,32H,10,12H2,1H3,(H,31,33).
What are the key properties of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-(hydroxymethyl)-4-(2-methylphenyl)pyridine-3-carboxamide?
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-(hydroxymethyl)-4-(2-methylphenyl)pyridine-3-carboxamide has a molecular weight of 468.40 g/mol, XLogP of 5.52, 5 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-(hydroxymethyl)-4-(2-methylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 91255265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).