N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide

C18H14F3N5O — CID 58337690

IUPACN-[3-[methyl(pyrimidin-5-yl)amino]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCN(c1cncnc1)c1cccc(NC(=O)c2cccc(C(F)(F)F)n2)c1
InChIInChI=1S/C18H14F3N5O/c1-26(14-9-22-11-23-10-14)13-5-2-4-12(8-13)24-17(27)15-6-3-7-16(25-15)18(19,20)21/h2-11H,1H3,(H,24,27)
InChIKeyYLEFLHHWTSQMLT-UHFFFAOYSA-N
MW373.34 g/mol
LogP3.91
Rot. Bonds4

About N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide

N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 58337690) has the molecular formula C18H14F3N5O and a molecular weight of 373.34 g/mol. Its IUPAC name is N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[methyl(pyrimidin-5-yl)amino]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID58337690
Molecular FormulaC18H14F3N5O
Molecular Weight373.34 g/mol
Exact Mass373.12
IUPAC NameN-[3-[methyl(pyrimidin-5-yl)amino]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCN(c1cncnc1)c1cccc(NC(=O)c2cccc(C(F)(F)F)n2)c1
InChIInChI=1S/C18H14F3N5O/c1-26(14-9-22-11-23-10-14)13-5-2-4-12(8-13)24-17(27)15-6-3-7-16(25-15)18(19,20)21/h2-11H,1H3,(H,24,27)
InChIKeyYLEFLHHWTSQMLT-UHFFFAOYSA-N
XLogP3.91
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.34
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 58337690) is N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide is CN(c1cncnc1)c1cccc(NC(=O)c2cccc(C(F)(F)F)n2)c1.
What is the InChIKey of N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is YLEFLHHWTSQMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N5O/c1-26(14-9-22-11-23-10-14)13-5-2-4-12(8-13)24-17(27)15-6-3-7-16(25-15)18(19,20)21/h2-11H,1H3,(H,24,27).
What are the key properties of N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide?
N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 373.34 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 58337690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).