N-(3,3,3-trifluoropropyl)pyridine-3-carboxamide

C9H9F3N2O — CID 91045435

IUPACN-(3,3,3-trifluoropropyl)pyridine-3-carboxamide
SMILESO=C(NCCC(F)(F)F)c1cccnc1
InChIInChI=1S/C9H9F3N2O/c10-9(11,12)3-5-14-8(15)7-2-1-4-13-6-7/h1-2,4,6H,3,5H2,(H,14,15)
InChIKeyHBAVDHZWWLVGDX-UHFFFAOYSA-N
MW218.18 g/mol
LogP1.76
Rot. Bonds3

About N-(3,3,3-trifluoropropyl)pyridine-3-carboxamide

N-(3,3,3-trifluoropropyl)pyridine-3-carboxamide (PubChem CID 91045435) has the molecular formula C9H9F3N2O and a molecular weight of 218.18 g/mol. Its IUPAC name is N-(3,3,3-trifluoropropyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3,3,3-trifluoropropyl)pyridine-3-carboxamide
PubChem CID91045435
Molecular FormulaC9H9F3N2O
Molecular Weight218.18 g/mol
Exact Mass218.07
IUPAC NameN-(3,3,3-trifluoropropyl)pyridine-3-carboxamide
SMILESO=C(NCCC(F)(F)F)c1cccnc1
InChIInChI=1S/C9H9F3N2O/c10-9(11,12)3-5-14-8(15)7-2-1-4-13-6-7/h1-2,4,6H,3,5H2,(H,14,15)
InChIKeyHBAVDHZWWLVGDX-UHFFFAOYSA-N
XLogP1.76
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.18
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(3,3,3-trifluoropropyl)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-[8-(pyridine-3-carbonylamino)octyl]pyridine-3-carboxamide;1,1,2,2-tetrafluoro-1,2-diiodoethane
CID 139199292
N-[2-[[4-(trifluoromethylsulfonyl)benzoyl]amino]ethyl]pyridine-3-carboxamide
CID 55690188
N-(5-iodopentyl)pyridine-3-carboxamide
CID 107322434
N-(3-chloropropyl)pyridine-3-carboxamide
CID 17164667
N-[3-[(4-fluorobenzoyl)amino]propyl]pyridine-3-carboxamide
CID 2989240
N-[3-[[2-(trifluoromethyl)benzoyl]amino]propyl]pyridine-3-carboxamide
CID 108926636
N-[2-[(4-aminobenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 108924536
N-[2-[(4-chlorobenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 3975684
N-[(3S)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]pyridine-3-carboxamide
CID 94816534
N-octadecylpyridine-3-carboxamide
CID 3547337
4-(pyridine-3-carbonylamino)butanoate
CID 4586549
N-[2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide
CID 4235481

Frequently Asked Questions

What is the IUPAC name of N-(3,3,3-trifluoropropyl)pyridine-3-carboxamide?
The IUPAC name of N-(3,3,3-trifluoropropyl)pyridine-3-carboxamide (CID 91045435) is N-(3,3,3-trifluoropropyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(3,3,3-trifluoropropyl)pyridine-3-carboxamide?
The canonical SMILES for N-(3,3,3-trifluoropropyl)pyridine-3-carboxamide is O=C(NCCC(F)(F)F)c1cccnc1.
What is the InChIKey of N-(3,3,3-trifluoropropyl)pyridine-3-carboxamide?
The InChIKey is HBAVDHZWWLVGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O/c10-9(11,12)3-5-14-8(15)7-2-1-4-13-6-7/h1-2,4,6H,3,5H2,(H,14,15).
What are the key properties of N-(3,3,3-trifluoropropyl)pyridine-3-carboxamide?
N-(3,3,3-trifluoropropyl)pyridine-3-carboxamide has a molecular weight of 218.18 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,3-trifluoropropyl)pyridine-3-carboxamide is sourced from PubChem (CID 91045435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).