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

C17H18F3N3O — CID 109202985

IUPACN-(2-methylpropyl)-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide
SMILESCC(C)CNC(=O)c1cc(Nc2ccccc2C(F)(F)F)ccn1
InChIInChI=1S/C17H18F3N3O/c1-11(2)10-22-16(24)15-9-12(7-8-21-15)23-14-6-4-3-5-13(14)17(18,19)20/h3-9,11H,10H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyMWAVTEAJCIUHEW-UHFFFAOYSA-N
MW337.35 g/mol
LogP4.23
Rot. Bonds5

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

N-(2-methylpropyl)-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide (PubChem CID 109202985) has the molecular formula C17H18F3N3O and a molecular weight of 337.35 g/mol. Its IUPAC name is N-(2-methylpropyl)-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide
PubChem CID109202985
Molecular FormulaC17H18F3N3O
Molecular Weight337.35 g/mol
Exact Mass337.14
IUPAC NameN-(2-methylpropyl)-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide
SMILESCC(C)CNC(=O)c1cc(Nc2ccccc2C(F)(F)F)ccn1
InChIInChI=1S/C17H18F3N3O/c1-11(2)10-22-16(24)15-9-12(7-8-21-15)23-14-6-4-3-5-13(14)17(18,19)20/h3-9,11H,10H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyMWAVTEAJCIUHEW-UHFFFAOYSA-N
XLogP4.23
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(pyridin-4-ylmethyl)-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109213332
N-phenyl-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109218783
4-(2-methylanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109219031
N-(2-methylpropyl)-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109224865
4-[2-chloro-5-(trifluoromethyl)anilino]-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109202996
N-(2-fluorophenyl)-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109220614
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-butan-2-yl-4-(2-tert-butylanilino)pyridine-2-carboxamide
CID 109203340
4-(tert-butylamino)-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109202921
4-(3-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109221605

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide?
The IUPAC name of N-(2-methylpropyl)-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide (CID 109202985) is N-(2-methylpropyl)-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide is CC(C)CNC(=O)c1cc(Nc2ccccc2C(F)(F)F)ccn1.
What is the InChIKey of N-(2-methylpropyl)-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide?
The InChIKey is MWAVTEAJCIUHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O/c1-11(2)10-22-16(24)15-9-12(7-8-21-15)23-14-6-4-3-5-13(14)17(18,19)20/h3-9,11H,10H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-(2-methylpropyl)-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide?
N-(2-methylpropyl)-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide has a molecular weight of 337.35 g/mol, XLogP of 4.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide is sourced from PubChem (CID 109202985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).