2-(pyridin-4-ylmethylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide

C19H15F3N4O — CID 20773396

IUPAC2-(pyridin-4-ylmethylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1cccnc1NCc1ccncc1
InChIInChI=1S/C19H15F3N4O/c20-19(21,22)14-3-5-15(6-4-14)26-18(27)16-2-1-9-24-17(16)25-12-13-7-10-23-11-8-13/h1-11H,12H2,(H,24,25)(H,26,27)
InChIKeyRVXMXBMQJVIABA-UHFFFAOYSA-N
MW372.35 g/mol
LogP4.36
Rot. Bonds5

About 2-(pyridin-4-ylmethylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide

2-(pyridin-4-ylmethylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide (PubChem CID 20773396) has the molecular formula C19H15F3N4O and a molecular weight of 372.35 g/mol. Its IUPAC name is 2-(pyridin-4-ylmethylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(pyridin-4-ylmethylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
PubChem CID20773396
Molecular FormulaC19H15F3N4O
Molecular Weight372.35 g/mol
Exact Mass372.12
IUPAC Name2-(pyridin-4-ylmethylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1cccnc1NCc1ccncc1
InChIInChI=1S/C19H15F3N4O/c20-19(21,22)14-3-5-15(6-4-14)26-18(27)16-2-1-9-24-17(16)25-12-13-7-10-23-11-8-13/h1-11H,12H2,(H,24,25)(H,26,27)
InChIKeyRVXMXBMQJVIABA-UHFFFAOYSA-N
XLogP4.36
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.35
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-4-ylmethylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 2-(pyridin-4-ylmethylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide (CID 20773396) is 2-(pyridin-4-ylmethylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(pyridin-4-ylmethylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 2-(pyridin-4-ylmethylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide is O=C(Nc1ccc(C(F)(F)F)cc1)c1cccnc1NCc1ccncc1.
What is the InChIKey of 2-(pyridin-4-ylmethylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The InChIKey is RVXMXBMQJVIABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O/c20-19(21,22)14-3-5-15(6-4-14)26-18(27)16-2-1-9-24-17(16)25-12-13-7-10-23-11-8-13/h1-11H,12H2,(H,24,25)(H,26,27).
What are the key properties of 2-(pyridin-4-ylmethylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
2-(pyridin-4-ylmethylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide has a molecular weight of 372.35 g/mol, XLogP of 4.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-4-ylmethylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 20773396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).