N-(4-butylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide

C17H17F3N2O — CID 33163993

IUPACN-(4-butylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCCCCc1ccc(NC(=O)c2ccc(C(F)(F)F)nc2)cc1
InChIInChI=1S/C17H17F3N2O/c1-2-3-4-12-5-8-14(9-6-12)22-16(23)13-7-10-15(21-11-13)17(18,19)20/h5-11H,2-4H2,1H3,(H,22,23)
InChIKeyKLTSEUJMKLXAMG-UHFFFAOYSA-N
MW322.33 g/mol
LogP4.70
Rot. Bonds5

About N-(4-butylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide

N-(4-butylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 33163993) has the molecular formula C17H17F3N2O and a molecular weight of 322.33 g/mol. Its IUPAC name is N-(4-butylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID33163993
Molecular FormulaC17H17F3N2O
Molecular Weight322.33 g/mol
Exact Mass322.13
IUPAC NameN-(4-butylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCCCCc1ccc(NC(=O)c2ccc(C(F)(F)F)nc2)cc1
InChIInChI=1S/C17H17F3N2O/c1-2-3-4-12-5-8-14(9-6-12)22-16(23)13-7-10-15(21-11-13)17(18,19)20/h5-11H,2-4H2,1H3,(H,22,23)
InChIKeyKLTSEUJMKLXAMG-UHFFFAOYSA-N
XLogP4.70
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(4-butylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(hydroxymethyl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 64794112
N-(4-ethylsulfonylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 33174489
N-[4-(propan-2-ylcarbamoyl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 131941411
N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 43055984
N-(4-butylphenyl)-4-(trifluoromethylsulfonylamino)benzamide
CID 20630469
6-fluoro-N-[6-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide
CID 82707407
N-[4-(morpholin-4-ylmethyl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 86917906
N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 58256445
6-amino-N-(4-propylphenyl)pyridine-3-carboxamide
CID 62154771
N-(4-butylphenyl)-2-fluoropyridine-4-carboxamide
CID 61294537
N-(4-butylphenyl)-4-fluoro-3-sulfanylbenzamide
CID 107022704
N-(4-ethylphenyl)-4-pentylbenzamide
CID 142206594

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-(4-butylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide (CID 33163993) is N-(4-butylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-butylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-(4-butylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide is CCCCc1ccc(NC(=O)c2ccc(C(F)(F)F)nc2)cc1.
What is the InChIKey of N-(4-butylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is KLTSEUJMKLXAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O/c1-2-3-4-12-5-8-14(9-6-12)22-16(23)13-7-10-15(21-11-13)17(18,19)20/h5-11H,2-4H2,1H3,(H,22,23).
What are the key properties of N-(4-butylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide?
N-(4-butylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 322.33 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 33163993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).