2-(3-methylpiperidine-1-carbonyl)-N-(2,3,4-trifluorophenyl)pyridine-4-carboxamide

C19H18F3N3O2 — CID 109090445

IUPAC2-(3-methylpiperidine-1-carbonyl)-N-(2,3,4-trifluorophenyl)pyridine-4-carboxamide
SMILESCC1CCCN(C(=O)c2cc(C(=O)Nc3ccc(F)c(F)c3F)ccn2)C1
InChIInChI=1S/C19H18F3N3O2/c1-11-3-2-8-25(10-11)19(27)15-9-12(6-7-23-15)18(26)24-14-5-4-13(20)16(21)17(14)22/h4-7,9,11H,2-3,8,10H2,1H3,(H,24,26)
InChIKeyYGSPTCAKMCHSRT-UHFFFAOYSA-N
MW377.37 g/mol
LogP3.62
Rot. Bonds3

About 2-(3-methylpiperidine-1-carbonyl)-N-(2,3,4-trifluorophenyl)pyridine-4-carboxamide

2-(3-methylpiperidine-1-carbonyl)-N-(2,3,4-trifluorophenyl)pyridine-4-carboxamide (PubChem CID 109090445) has the molecular formula C19H18F3N3O2 and a molecular weight of 377.37 g/mol. Its IUPAC name is 2-(3-methylpiperidine-1-carbonyl)-N-(2,3,4-trifluorophenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(3-methylpiperidine-1-carbonyl)-N-(2,3,4-trifluorophenyl)pyridine-4-carboxamide
PubChem CID109090445
Molecular FormulaC19H18F3N3O2
Molecular Weight377.37 g/mol
Exact Mass377.14
IUPAC Name2-(3-methylpiperidine-1-carbonyl)-N-(2,3,4-trifluorophenyl)pyridine-4-carboxamide
SMILESCC1CCCN(C(=O)c2cc(C(=O)Nc3ccc(F)c(F)c3F)ccn2)C1
InChIInChI=1S/C19H18F3N3O2/c1-11-3-2-8-25(10-11)19(27)15-9-12(6-7-23-15)18(26)24-14-5-4-13(20)16(21)17(14)22/h4-7,9,11H,2-3,8,10H2,1H3,(H,24,26)
InChIKeyYGSPTCAKMCHSRT-UHFFFAOYSA-N
XLogP3.62
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(2,4-difluorophenyl)-2-(3-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109090432
N-(2-fluorophenyl)-2-(3-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109090390
2-(morpholine-4-carbonyl)-N-(2,3,4-trifluorophenyl)pyridine-4-carboxamide
CID 109083105
N-(2,5-dimethylphenyl)-2-(3-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109090374
N-(5-chloro-2-methoxyphenyl)-2-(3-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109090402
N-(2-cyanophenyl)-2-(3-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109090441
N-(4-chloro-2-methylphenyl)-4-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109090311
N-(4-acetylphenyl)-2-(3-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109090418
N-butan-2-yl-2-(3-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109080013
4-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 112700608
N-cyclopentyl-4-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109080925
N-cycloheptyl-4-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109089437

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpiperidine-1-carbonyl)-N-(2,3,4-trifluorophenyl)pyridine-4-carboxamide?
The IUPAC name of 2-(3-methylpiperidine-1-carbonyl)-N-(2,3,4-trifluorophenyl)pyridine-4-carboxamide (CID 109090445) is 2-(3-methylpiperidine-1-carbonyl)-N-(2,3,4-trifluorophenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(3-methylpiperidine-1-carbonyl)-N-(2,3,4-trifluorophenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(3-methylpiperidine-1-carbonyl)-N-(2,3,4-trifluorophenyl)pyridine-4-carboxamide is CC1CCCN(C(=O)c2cc(C(=O)Nc3ccc(F)c(F)c3F)ccn2)C1.
What is the InChIKey of 2-(3-methylpiperidine-1-carbonyl)-N-(2,3,4-trifluorophenyl)pyridine-4-carboxamide?
The InChIKey is YGSPTCAKMCHSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O2/c1-11-3-2-8-25(10-11)19(27)15-9-12(6-7-23-15)18(26)24-14-5-4-13(20)16(21)17(14)22/h4-7,9,11H,2-3,8,10H2,1H3,(H,24,26).
What are the key properties of 2-(3-methylpiperidine-1-carbonyl)-N-(2,3,4-trifluorophenyl)pyridine-4-carboxamide?
2-(3-methylpiperidine-1-carbonyl)-N-(2,3,4-trifluorophenyl)pyridine-4-carboxamide has a molecular weight of 377.37 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpiperidine-1-carbonyl)-N-(2,3,4-trifluorophenyl)pyridine-4-carboxamide is sourced from PubChem (CID 109090445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).