4-(3-methylpiperidine-1-carbonyl)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide

C20H20F3N3O2 — CID 109090330

IUPAC4-(3-methylpiperidine-1-carbonyl)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
SMILESCC1CCCN(C(=O)c2ccnc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2)C1
InChIInChI=1S/C20H20F3N3O2/c1-13-3-2-10-26(12-13)19(28)14-8-9-24-17(11-14)18(27)25-16-6-4-15(5-7-16)20(21,22)23/h4-9,11,13H,2-3,10,12H2,1H3,(H,25,27)
InChIKeyWJJWEZWACJTNPD-UHFFFAOYSA-N
MW391.39 g/mol
LogP4.22
Rot. Bonds3

About 4-(3-methylpiperidine-1-carbonyl)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide

4-(3-methylpiperidine-1-carbonyl)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide (PubChem CID 109090330) has the molecular formula C20H20F3N3O2 and a molecular weight of 391.39 g/mol. Its IUPAC name is 4-(3-methylpiperidine-1-carbonyl)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(3-methylpiperidine-1-carbonyl)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
PubChem CID109090330
Molecular FormulaC20H20F3N3O2
Molecular Weight391.39 g/mol
Exact Mass391.15
IUPAC Name4-(3-methylpiperidine-1-carbonyl)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
SMILESCC1CCCN(C(=O)c2ccnc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2)C1
InChIInChI=1S/C20H20F3N3O2/c1-13-3-2-10-26(12-13)19(28)14-8-9-24-17(11-14)18(27)25-16-6-4-15(5-7-16)20(21,22)23/h4-9,11,13H,2-3,10,12H2,1H3,(H,25,27)
InChIKeyWJJWEZWACJTNPD-UHFFFAOYSA-N
XLogP4.22
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.39
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109090343
N-(4-acetylphenyl)-2-(3-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109090418
N-cyclopentyl-4-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109080925
4-(4-methylpiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109205376
4-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 112700608
N-cycloheptyl-4-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109089437
N-(4-fluorophenyl)-4-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109081738
N-(4-chloro-2-methylphenyl)-4-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109090311
2-N-cyclohexyl-4-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide
CID 109081616
N-[(4-fluorophenyl)methyl]-4-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109086578
N-(4-chlorophenyl)-4-(3-methylpiperidine-1-carbonyl)benzamide
CID 109048985
N-[2-(dimethylamino)ethyl]-4-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109083608

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylpiperidine-1-carbonyl)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The IUPAC name of 4-(3-methylpiperidine-1-carbonyl)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide (CID 109090330) is 4-(3-methylpiperidine-1-carbonyl)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-(3-methylpiperidine-1-carbonyl)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 4-(3-methylpiperidine-1-carbonyl)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide is CC1CCCN(C(=O)c2ccnc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2)C1.
What is the InChIKey of 4-(3-methylpiperidine-1-carbonyl)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The InChIKey is WJJWEZWACJTNPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N3O2/c1-13-3-2-10-26(12-13)19(28)14-8-9-24-17(11-14)18(27)25-16-6-4-15(5-7-16)20(21,22)23/h4-9,11,13H,2-3,10,12H2,1H3,(H,25,27).
What are the key properties of 4-(3-methylpiperidine-1-carbonyl)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
4-(3-methylpiperidine-1-carbonyl)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide has a molecular weight of 391.39 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylpiperidine-1-carbonyl)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 109090330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).