N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyridine-3-carboxamide

C21H16F3N3O2 — CID 44593434

IUPACN-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)c1cccnc1
InChIInChI=1S/C21H16F3N3O2/c1-13-7-8-17(11-18(13)27-20(29)15-5-3-9-25-12-15)26-19(28)14-4-2-6-16(10-14)21(22,23)24/h2-12H,1H3,(H,26,28)(H,27,29)
InChIKeyXJXFROJLWMLVQH-UHFFFAOYSA-N
MW399.37 g/mol
LogP4.91
Rot. Bonds4

About N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyridine-3-carboxamide

N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyridine-3-carboxamide (PubChem CID 44593434) has the molecular formula C21H16F3N3O2 and a molecular weight of 399.37 g/mol. Its IUPAC name is N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyridine-3-carboxamide
PubChem CID44593434
Molecular FormulaC21H16F3N3O2
Molecular Weight399.37 g/mol
Exact Mass399.12
IUPAC NameN-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)c1cccnc1
InChIInChI=1S/C21H16F3N3O2/c1-13-7-8-17(11-18(13)27-20(29)15-5-3-9-25-12-15)26-19(28)14-4-2-6-16(10-14)21(22,23)24/h2-12H,1H3,(H,26,28)(H,27,29)
InChIKeyXJXFROJLWMLVQH-UHFFFAOYSA-N
XLogP4.91
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.37
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-((2-Methyl-5-((3-(trifluoromethyl)phenyl)carbamoyl)phenyl)amino)pyridine-3-carboxamide
CID 24875320
N-[4-(N-[2-[2,4-bis(trifluoromethyl)phenyl]acetyl]anilino)but-2-ynyl]pyridine-3-carboxamide
CID 168271607
2-((4-pyridyl)methyl)amino-N-(3-(trifluoromethyl)phenyl)benzamide
CID 6398883
N-(4-tert-butylphenyl)-4-(pyridin-2-yl)benzamide
CID 11472986
N-[3,3-Bis-(4-fluorophenyl)-propyl]-nicotinamide
CID 11976535
2-Amino-5-(4-fluorophenyl)-3-(pyridin-4-yl)benzamide
CID 16048303
2-Amino-3-phenyl-5-(pyridin-4-yl)benzamide
CID 16048415
N-(4-aminobiphenyl-3-yl)nicotinamide
CID 44454415
n-(2-Fluorophenyl)nicotinamide
CID 279880
4-(2-Trifluoroacetamidophenyl)pyrido[3,2-g]quinoline-5,10-dione
CID 9908770
N-(4-tert-butylphenyl)-4-(3-fluoropyridin-2-yl)benzamide
CID 11152242
(2R)-2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide
CID 42639933

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyridine-3-carboxamide (CID 44593434) is N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyridine-3-carboxamide is Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)c1cccnc1.
What is the InChIKey of N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyridine-3-carboxamide?
The InChIKey is XJXFROJLWMLVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N3O2/c1-13-7-8-17(11-18(13)27-20(29)15-5-3-9-25-12-15)26-19(28)14-4-2-6-16(10-14)21(22,23)24/h2-12H,1H3,(H,26,28)(H,27,29).
What are the key properties of N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyridine-3-carboxamide?
N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyridine-3-carboxamide has a molecular weight of 399.37 g/mol, XLogP of 4.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 44593434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).