N-propan-2-yl-5-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide

C16H16F3N3O — CID 109179578

IUPACN-propan-2-yl-5-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide
SMILESCC(C)NC(=O)c1ccc(Nc2ccc(C(F)(F)F)cc2)cn1
InChIInChI=1S/C16H16F3N3O/c1-10(2)21-15(23)14-8-7-13(9-20-14)22-12-5-3-11(4-6-12)16(17,18)19/h3-10,22H,1-2H3,(H,21,23)
InChIKeyROMIUHYGUQABPM-UHFFFAOYSA-N
MW323.32 g/mol
LogP3.98
Rot. Bonds4

About N-propan-2-yl-5-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide

N-propan-2-yl-5-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide (PubChem CID 109179578) has the molecular formula C16H16F3N3O and a molecular weight of 323.32 g/mol. Its IUPAC name is N-propan-2-yl-5-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-5-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide
PubChem CID109179578
Molecular FormulaC16H16F3N3O
Molecular Weight323.32 g/mol
Exact Mass323.12
IUPAC NameN-propan-2-yl-5-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide
SMILESCC(C)NC(=O)c1ccc(Nc2ccc(C(F)(F)F)cc2)cn1
InChIInChI=1S/C16H16F3N3O/c1-10(2)21-15(23)14-8-7-13(9-20-14)22-12-5-3-11(4-6-12)16(17,18)19/h3-10,22H,1-2H3,(H,21,23)
InChIKeyROMIUHYGUQABPM-UHFFFAOYSA-N
XLogP3.98
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.32
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-5-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109180759
N-(2,6-difluorophenyl)-5-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109200327
N-(3-methylphenyl)-5-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109197325
5-(4-piperidin-1-ylanilino)-N-propan-2-ylpyridine-2-carboxamide
CID 109179591
N-(5-methyl-1,2-oxazol-3-yl)-5-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109200329
5-(3-methylbutylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109195665
N-but-3-yn-2-yl-5-(trifluoromethyl)pyridine-2-carboxamide
CID 114389784
ethyl 2-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]propanoate
CID 115593424
5-(3-methylpentan-3-yl)-N-propan-2-ylpyridine-2-carboxamide
CID 176964984
2-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]butanoic acid
CID 114908315
6-methyl-N-[4-(trifluoromethyl)phenyl]pyridin-3-amine
CID 129133333
5-(cyclohexylamino)-N-propan-2-ylpyridine-2-carboxamide
CID 109179444

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-5-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide?
The IUPAC name of N-propan-2-yl-5-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide (CID 109179578) is N-propan-2-yl-5-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide.
What is the SMILES notation for N-propan-2-yl-5-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide?
The canonical SMILES for N-propan-2-yl-5-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide is CC(C)NC(=O)c1ccc(Nc2ccc(C(F)(F)F)cc2)cn1.
What is the InChIKey of N-propan-2-yl-5-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide?
The InChIKey is ROMIUHYGUQABPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O/c1-10(2)21-15(23)14-8-7-13(9-20-14)22-12-5-3-11(4-6-12)16(17,18)19/h3-10,22H,1-2H3,(H,21,23).
What are the key properties of N-propan-2-yl-5-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide?
N-propan-2-yl-5-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide has a molecular weight of 323.32 g/mol, XLogP of 3.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-5-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide is sourced from PubChem (CID 109179578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).