N-butan-2-yl-4-[3-(trifluoromethyl)anilino]pyridine-2-carboxamide

C17H18F3N3O — CID 109203369

IUPACN-butan-2-yl-4-[3-(trifluoromethyl)anilino]pyridine-2-carboxamide
SMILESCCC(C)NC(=O)c1cc(Nc2cccc(C(F)(F)F)c2)ccn1
InChIInChI=1S/C17H18F3N3O/c1-3-11(2)22-16(24)15-10-14(7-8-21-15)23-13-6-4-5-12(9-13)17(18,19)20/h4-11H,3H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyXNSUHFUBWVWXSO-UHFFFAOYSA-N
MW337.35 g/mol
LogP4.37
Rot. Bonds5

About N-butan-2-yl-4-[3-(trifluoromethyl)anilino]pyridine-2-carboxamide

N-butan-2-yl-4-[3-(trifluoromethyl)anilino]pyridine-2-carboxamide (PubChem CID 109203369) has the molecular formula C17H18F3N3O and a molecular weight of 337.35 g/mol. Its IUPAC name is N-butan-2-yl-4-[3-(trifluoromethyl)anilino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-4-[3-(trifluoromethyl)anilino]pyridine-2-carboxamide
PubChem CID109203369
Molecular FormulaC17H18F3N3O
Molecular Weight337.35 g/mol
Exact Mass337.14
IUPAC NameN-butan-2-yl-4-[3-(trifluoromethyl)anilino]pyridine-2-carboxamide
SMILESCCC(C)NC(=O)c1cc(Nc2cccc(C(F)(F)F)c2)ccn1
InChIInChI=1S/C17H18F3N3O/c1-3-11(2)22-16(24)15-10-14(7-8-21-15)23-13-6-4-5-12(9-13)17(18,19)20/h4-11H,3H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyXNSUHFUBWVWXSO-UHFFFAOYSA-N
XLogP4.37
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 ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-anilino-N-butan-2-ylpyridine-2-carboxamide
CID 109203318
N-[2-(dimethylamino)ethyl]-4-[3-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109207209
N-butan-2-yl-4-(4-methoxyanilino)pyridine-2-carboxamide
CID 109203359
N-butan-2-yl-4-(ethylamino)pyridine-2-carboxamide
CID 62171647
N-butan-2-yl-4-(2-tert-butylanilino)pyridine-2-carboxamide
CID 109203340
N-butan-2-yl-4-(2,3,4-trifluoroanilino)pyridine-2-carboxamide
CID 109203420
N-butan-2-yl-4-(butylamino)pyridine-2-carboxamide
CID 109202657
2-(butan-2-ylamino)-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109297217
N-butan-2-yl-4-(2-phenylethylamino)pyridine-2-carboxamide
CID 109203268
N-butan-2-yl-4-(4-piperidin-1-ylanilino)pyridine-2-carboxamide
CID 109203383
N-(2-methylpropyl)-2-[3-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109297024
N-butan-2-yl-4-(2,4-dichloroanilino)pyridine-2-carboxamide
CID 109203407

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-[3-(trifluoromethyl)anilino]pyridine-2-carboxamide?
The IUPAC name of N-butan-2-yl-4-[3-(trifluoromethyl)anilino]pyridine-2-carboxamide (CID 109203369) is N-butan-2-yl-4-[3-(trifluoromethyl)anilino]pyridine-2-carboxamide.
What is the SMILES notation for N-butan-2-yl-4-[3-(trifluoromethyl)anilino]pyridine-2-carboxamide?
The canonical SMILES for N-butan-2-yl-4-[3-(trifluoromethyl)anilino]pyridine-2-carboxamide is CCC(C)NC(=O)c1cc(Nc2cccc(C(F)(F)F)c2)ccn1.
What is the InChIKey of N-butan-2-yl-4-[3-(trifluoromethyl)anilino]pyridine-2-carboxamide?
The InChIKey is XNSUHFUBWVWXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O/c1-3-11(2)22-16(24)15-10-14(7-8-21-15)23-13-6-4-5-12(9-13)17(18,19)20/h4-11H,3H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-butan-2-yl-4-[3-(trifluoromethyl)anilino]pyridine-2-carboxamide?
N-butan-2-yl-4-[3-(trifluoromethyl)anilino]pyridine-2-carboxamide has a molecular weight of 337.35 g/mol, XLogP of 4.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-[3-(trifluoromethyl)anilino]pyridine-2-carboxamide is sourced from PubChem (CID 109203369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).