N-(4-methylpiperidin-4-yl)-6-(trifluoromethyl)pyridine-3-carboxamide

C13H16F3N3O — CID 114696387

IUPACN-(4-methylpiperidin-4-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCC1(NC(=O)c2ccc(C(F)(F)F)nc2)CCNCC1
InChIInChI=1S/C13H16F3N3O/c1-12(4-6-17-7-5-12)19-11(20)9-2-3-10(18-8-9)13(14,15)16/h2-3,8,17H,4-7H2,1H3,(H,19,20)
InChIKeyCARSSQGKMWKFTA-UHFFFAOYSA-N
MW287.28 g/mol
LogP1.97
Rot. Bonds2

About N-(4-methylpiperidin-4-yl)-6-(trifluoromethyl)pyridine-3-carboxamide

N-(4-methylpiperidin-4-yl)-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 114696387) has the molecular formula C13H16F3N3O and a molecular weight of 287.28 g/mol. Its IUPAC name is N-(4-methylpiperidin-4-yl)-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-methylpiperidin-4-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID114696387
Molecular FormulaC13H16F3N3O
Molecular Weight287.28 g/mol
Exact Mass287.12
IUPAC NameN-(4-methylpiperidin-4-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCC1(NC(=O)c2ccc(C(F)(F)F)nc2)CCNCC1
InChIInChI=1S/C13H16F3N3O/c1-12(4-6-17-7-5-12)19-11(20)9-2-3-10(18-8-9)13(14,15)16/h2-3,8,17H,4-7H2,1H3,(H,19,20)
InChIKeyCARSSQGKMWKFTA-UHFFFAOYSA-N
XLogP1.97
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylpiperidin-4-yl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-(4-methylpiperidin-4-yl)-6-(trifluoromethyl)pyridine-3-carboxamide (CID 114696387) is N-(4-methylpiperidin-4-yl)-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-methylpiperidin-4-yl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-(4-methylpiperidin-4-yl)-6-(trifluoromethyl)pyridine-3-carboxamide is CC1(NC(=O)c2ccc(C(F)(F)F)nc2)CCNCC1.
What is the InChIKey of N-(4-methylpiperidin-4-yl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is CARSSQGKMWKFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O/c1-12(4-6-17-7-5-12)19-11(20)9-2-3-10(18-8-9)13(14,15)16/h2-3,8,17H,4-7H2,1H3,(H,19,20).
What are the key properties of N-(4-methylpiperidin-4-yl)-6-(trifluoromethyl)pyridine-3-carboxamide?
N-(4-methylpiperidin-4-yl)-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 287.28 g/mol, XLogP of 1.97, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpiperidin-4-yl)-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 114696387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).