N-(pyridin-4-ylmethyl)-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide

C19H15F3N4O — CID 109213332

IUPACN-(pyridin-4-ylmethyl)-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide
SMILESO=C(NCc1ccncc1)c1cc(Nc2ccccc2C(F)(F)F)ccn1
InChIInChI=1S/C19H15F3N4O/c20-19(21,22)15-3-1-2-4-16(15)26-14-7-10-24-17(11-14)18(27)25-12-13-5-8-23-9-6-13/h1-11H,12H2,(H,24,26)(H,25,27)
InChIKeyJFYWCHLPDFBILC-UHFFFAOYSA-N
MW372.35 g/mol
LogP4.17
Rot. Bonds5

About N-(pyridin-4-ylmethyl)-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide

N-(pyridin-4-ylmethyl)-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide (PubChem CID 109213332) has the molecular formula C19H15F3N4O and a molecular weight of 372.35 g/mol. Its IUPAC name is N-(pyridin-4-ylmethyl)-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(pyridin-4-ylmethyl)-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide
PubChem CID109213332
Molecular FormulaC19H15F3N4O
Molecular Weight372.35 g/mol
Exact Mass372.12
IUPAC NameN-(pyridin-4-ylmethyl)-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide
SMILESO=C(NCc1ccncc1)c1cc(Nc2ccccc2C(F)(F)F)ccn1
InChIInChI=1S/C19H15F3N4O/c20-19(21,22)15-3-1-2-4-16(15)26-14-7-10-24-17(11-14)18(27)25-12-13-5-8-23-9-6-13/h1-11H,12H2,(H,24,26)(H,25,27)
InChIKeyJFYWCHLPDFBILC-UHFFFAOYSA-N
XLogP4.17
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 ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylpropyl)-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109202985
4-(2-cyanoanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 109213375
N-phenyl-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109218783
N-(2-fluorophenyl)-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109220614
4-(2-methylanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109219031
4-(2,5-dichloroanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 109213367
4-(4-chloro-2-methylanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 109213313
N-(2-cyanophenyl)-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109222061
N-benzyl-N-ethyl-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109212553
4-(2,6-difluoroanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109222054
N-(pyridin-3-ylmethyl)-4-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109213049
N-[(4-fluorophenyl)methyl]-4-(quinolin-8-ylamino)pyridine-2-carboxamide
CID 109211474

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-4-ylmethyl)-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide?
The IUPAC name of N-(pyridin-4-ylmethyl)-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide (CID 109213332) is N-(pyridin-4-ylmethyl)-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide.
What is the SMILES notation for N-(pyridin-4-ylmethyl)-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide?
The canonical SMILES for N-(pyridin-4-ylmethyl)-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide is O=C(NCc1ccncc1)c1cc(Nc2ccccc2C(F)(F)F)ccn1.
What is the InChIKey of N-(pyridin-4-ylmethyl)-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide?
The InChIKey is JFYWCHLPDFBILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O/c20-19(21,22)15-3-1-2-4-16(15)26-14-7-10-24-17(11-14)18(27)25-12-13-5-8-23-9-6-13/h1-11H,12H2,(H,24,26)(H,25,27).
What are the key properties of N-(pyridin-4-ylmethyl)-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide?
N-(pyridin-4-ylmethyl)-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide has a molecular weight of 372.35 g/mol, XLogP of 4.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-4-ylmethyl)-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide is sourced from PubChem (CID 109213332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).