4-(4-methylpiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide

C19H20F3N3O — CID 109205376

IUPAC4-(4-methylpiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
SMILESCC1CCN(c2ccnc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2)CC1
InChIInChI=1S/C19H20F3N3O/c1-13-7-10-25(11-8-13)16-6-9-23-17(12-16)18(26)24-15-4-2-14(3-5-15)19(20,21)22/h2-6,9,12-13H,7-8,10-11H2,1H3,(H,24,26)
InChIKeyYWYFSRZYEOPUTI-UHFFFAOYSA-N
MW363.38 g/mol
LogP4.59
Rot. Bonds3

About 4-(4-methylpiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide

4-(4-methylpiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide (PubChem CID 109205376) has the molecular formula C19H20F3N3O and a molecular weight of 363.38 g/mol. Its IUPAC name is 4-(4-methylpiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-methylpiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
PubChem CID109205376
Molecular FormulaC19H20F3N3O
Molecular Weight363.38 g/mol
Exact Mass363.16
IUPAC Name4-(4-methylpiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
SMILESCC1CCN(c2ccnc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2)CC1
InChIInChI=1S/C19H20F3N3O/c1-13-7-10-25(11-8-13)16-6-9-23-17(12-16)18(26)24-15-4-2-14(3-5-15)19(20,21)22/h2-6,9,12-13H,7-8,10-11H2,1H3,(H,24,26)
InChIKeyYWYFSRZYEOPUTI-UHFFFAOYSA-N
XLogP4.59
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The IUPAC name of 4-(4-methylpiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide (CID 109205376) is 4-(4-methylpiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-(4-methylpiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 4-(4-methylpiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide is CC1CCN(c2ccnc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2)CC1.
What is the InChIKey of 4-(4-methylpiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The InChIKey is YWYFSRZYEOPUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O/c1-13-7-10-25(11-8-13)16-6-9-23-17(12-16)18(26)24-15-4-2-14(3-5-15)19(20,21)22/h2-6,9,12-13H,7-8,10-11H2,1H3,(H,24,26).
What are the key properties of 4-(4-methylpiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
4-(4-methylpiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide has a molecular weight of 363.38 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 109205376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).