N-(4-iodo-2-methylphenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide

C19H19F3IN3O — CID 55712610

IUPACN-(4-iodo-2-methylphenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
SMILESCc1cc(I)ccc1NC(=O)C1CCCN(c2ncccc2C(F)(F)F)C1
InChIInChI=1S/C19H19F3IN3O/c1-12-10-14(23)6-7-16(12)25-18(27)13-4-3-9-26(11-13)17-15(19(20,21)22)5-2-8-24-17/h2,5-8,10,13H,3-4,9,11H2,1H3,(H,25,27)
InChIKeyVALSJJXEFIWWEV-UHFFFAOYSA-N
MW489.28 g/mol
LogP4.87
Rot. Bonds3

About N-(4-iodo-2-methylphenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide

N-(4-iodo-2-methylphenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide (PubChem CID 55712610) has the molecular formula C19H19F3IN3O and a molecular weight of 489.28 g/mol. Its IUPAC name is N-(4-iodo-2-methylphenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-iodo-2-methylphenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
PubChem CID55712610
Molecular FormulaC19H19F3IN3O
Molecular Weight489.28 g/mol
Exact Mass489.05
IUPAC NameN-(4-iodo-2-methylphenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
SMILESCc1cc(I)ccc1NC(=O)C1CCCN(c2ncccc2C(F)(F)F)C1
InChIInChI=1S/C19H19F3IN3O/c1-12-10-14(23)6-7-16(12)25-18(27)13-4-3-9-26(11-13)17-15(19(20,21)22)5-2-8-24-17/h2,5-8,10,13H,3-4,9,11H2,1H3,(H,25,27)
InChIKeyVALSJJXEFIWWEV-UHFFFAOYSA-N
XLogP4.87
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.28
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(3S)-1-[3-(trifluoromethyl)-2-pyridinyl]-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide
CID 51955026
N'-[2-(trifluoromethyl)phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carbohydrazide
CID 55718313
N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
CID 55794757
methyl 2-[[(3R)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carbonyl]amino]-1,3-thiazole-5-carboxylate
CID 51955858
ethyl 3-methyl-5-[[1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carbonyl]amino]thiophene-2-carboxylate
CID 55755895
1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
CID 47174336
N-phenyl-1-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carbonyl]piperidine-3-carboxamide
CID 55719268
(3R)-1-pyrimidin-2-yl-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 40599471
N-[3-(difluoromethoxy)-4-methoxyphenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
CID 46485215
(3S)-N-[(1R,2R)-2-methoxycyclohexyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
CID 100700324
N-[(1R,2R)-2-methoxycyclohexyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
CID 119036191
N-[4-(sulfamoylmethyl)phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
CID 55910572

Frequently Asked Questions

What is the IUPAC name of N-(4-iodo-2-methylphenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide?
The IUPAC name of N-(4-iodo-2-methylphenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide (CID 55712610) is N-(4-iodo-2-methylphenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(4-iodo-2-methylphenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide?
The canonical SMILES for N-(4-iodo-2-methylphenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide is Cc1cc(I)ccc1NC(=O)C1CCCN(c2ncccc2C(F)(F)F)C1.
What is the InChIKey of N-(4-iodo-2-methylphenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide?
The InChIKey is VALSJJXEFIWWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3IN3O/c1-12-10-14(23)6-7-16(12)25-18(27)13-4-3-9-26(11-13)17-15(19(20,21)22)5-2-8-24-17/h2,5-8,10,13H,3-4,9,11H2,1H3,(H,25,27).
What are the key properties of N-(4-iodo-2-methylphenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide?
N-(4-iodo-2-methylphenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide has a molecular weight of 489.28 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodo-2-methylphenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide is sourced from PubChem (CID 55712610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).