N-methyl-5-piperidin-1-yl-6-(trifluoromethyl)pyridine-2-carboxamide

C13H16F3N3O — CID 172768945

IUPACN-methyl-5-piperidin-1-yl-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCNC(=O)c1ccc(N2CCCCC2)c(C(F)(F)F)n1
InChIInChI=1S/C13H16F3N3O/c1-17-12(20)9-5-6-10(11(18-9)13(14,15)16)19-7-3-2-4-8-19/h5-6H,2-4,7-8H2,1H3,(H,17,20)
InChIKeyMRPDZPFCSPOZKO-UHFFFAOYSA-N
MW287.29 g/mol
LogP2.45
Rot. Bonds2

About N-methyl-5-piperidin-1-yl-6-(trifluoromethyl)pyridine-2-carboxamide

N-methyl-5-piperidin-1-yl-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 172768945) has the molecular formula C13H16F3N3O and a molecular weight of 287.29 g/mol. Its IUPAC name is N-methyl-5-piperidin-1-yl-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-5-piperidin-1-yl-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID172768945
Molecular FormulaC13H16F3N3O
Molecular Weight287.29 g/mol
Exact Mass287.12
IUPAC NameN-methyl-5-piperidin-1-yl-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCNC(=O)c1ccc(N2CCCCC2)c(C(F)(F)F)n1
InChIInChI=1S/C13H16F3N3O/c1-17-12(20)9-5-6-10(11(18-9)13(14,15)16)19-7-3-2-4-8-19/h5-6H,2-4,7-8H2,1H3,(H,17,20)
InChIKeyMRPDZPFCSPOZKO-UHFFFAOYSA-N
XLogP2.45
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-piperidin-1-yl-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-methyl-5-piperidin-1-yl-6-(trifluoromethyl)pyridine-2-carboxamide (CID 172768945) is N-methyl-5-piperidin-1-yl-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-5-piperidin-1-yl-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-methyl-5-piperidin-1-yl-6-(trifluoromethyl)pyridine-2-carboxamide is CNC(=O)c1ccc(N2CCCCC2)c(C(F)(F)F)n1.
What is the InChIKey of N-methyl-5-piperidin-1-yl-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is MRPDZPFCSPOZKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O/c1-17-12(20)9-5-6-10(11(18-9)13(14,15)16)19-7-3-2-4-8-19/h5-6H,2-4,7-8H2,1H3,(H,17,20).
What are the key properties of N-methyl-5-piperidin-1-yl-6-(trifluoromethyl)pyridine-2-carboxamide?
N-methyl-5-piperidin-1-yl-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 287.29 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-piperidin-1-yl-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 172768945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).