N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[methyl(pyridin-4-yl)amino]pyridine-3-carboxamide

C19H14F4N4O — CID 68518720

IUPACN-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[methyl(pyridin-4-yl)amino]pyridine-3-carboxamide
SMILESCN(c1ccncc1)c1ncccc1C(=O)Nc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C19H14F4N4O/c1-27(13-6-9-24-10-7-13)17-14(3-2-8-25-17)18(28)26-12-4-5-16(20)15(11-12)19(21,22)23/h2-11H,1H3,(H,26,28)
InChIKeyAFMQNLRQDLTVRJ-UHFFFAOYSA-N
MW390.34 g/mol
LogP4.65
Rot. Bonds4

About N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[methyl(pyridin-4-yl)amino]pyridine-3-carboxamide

N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[methyl(pyridin-4-yl)amino]pyridine-3-carboxamide (PubChem CID 68518720) has the molecular formula C19H14F4N4O and a molecular weight of 390.34 g/mol. Its IUPAC name is N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[methyl(pyridin-4-yl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[methyl(pyridin-4-yl)amino]pyridine-3-carboxamide
PubChem CID68518720
Molecular FormulaC19H14F4N4O
Molecular Weight390.34 g/mol
Exact Mass390.11
IUPAC NameN-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[methyl(pyridin-4-yl)amino]pyridine-3-carboxamide
SMILESCN(c1ccncc1)c1ncccc1C(=O)Nc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C19H14F4N4O/c1-27(13-6-9-24-10-7-13)17-14(3-2-8-25-17)18(28)26-12-4-5-16(20)15(11-12)19(21,22)23/h2-11H,1H3,(H,26,28)
InChIKeyAFMQNLRQDLTVRJ-UHFFFAOYSA-N
XLogP4.65
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.34
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[methyl(pyridin-4-yl)amino]pyridine-3-carboxamide?
The IUPAC name of N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[methyl(pyridin-4-yl)amino]pyridine-3-carboxamide (CID 68518720) is N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[methyl(pyridin-4-yl)amino]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[methyl(pyridin-4-yl)amino]pyridine-3-carboxamide?
The canonical SMILES for N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[methyl(pyridin-4-yl)amino]pyridine-3-carboxamide is CN(c1ccncc1)c1ncccc1C(=O)Nc1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[methyl(pyridin-4-yl)amino]pyridine-3-carboxamide?
The InChIKey is AFMQNLRQDLTVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F4N4O/c1-27(13-6-9-24-10-7-13)17-14(3-2-8-25-17)18(28)26-12-4-5-16(20)15(11-12)19(21,22)23/h2-11H,1H3,(H,26,28).
What are the key properties of N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[methyl(pyridin-4-yl)amino]pyridine-3-carboxamide?
N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[methyl(pyridin-4-yl)amino]pyridine-3-carboxamide has a molecular weight of 390.34 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[methyl(pyridin-4-yl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 68518720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).