N-[4-[(dimethylamino)methyl]-1-methylpiperidin-4-yl]-3-(trifluoromethyl)pyridine-2-carboxamide

C16H23F3N4O — CID 134435108

IUPACN-[4-[(dimethylamino)methyl]-1-methylpiperidin-4-yl]-3-(trifluoromethyl)pyridine-2-carboxamide
SMILESCN(C)CC1(NC(=O)c2ncccc2C(F)(F)F)CCN(C)CC1
InChIInChI=1S/C16H23F3N4O/c1-22(2)11-15(6-9-23(3)10-7-15)21-14(24)13-12(16(17,18)19)5-4-8-20-13/h4-5,8H,6-7,9-11H2,1-3H3,(H,21,24)
InChIKeyGHKRUTRYEHCAGO-UHFFFAOYSA-N
MW344.38 g/mol
LogP1.86
Rot. Bonds4

About N-[4-[(dimethylamino)methyl]-1-methylpiperidin-4-yl]-3-(trifluoromethyl)pyridine-2-carboxamide

N-[4-[(dimethylamino)methyl]-1-methylpiperidin-4-yl]-3-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 134435108) has the molecular formula C16H23F3N4O and a molecular weight of 344.38 g/mol. Its IUPAC name is N-[4-[(dimethylamino)methyl]-1-methylpiperidin-4-yl]-3-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(dimethylamino)methyl]-1-methylpiperidin-4-yl]-3-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID134435108
Molecular FormulaC16H23F3N4O
Molecular Weight344.38 g/mol
Exact Mass344.18
IUPAC NameN-[4-[(dimethylamino)methyl]-1-methylpiperidin-4-yl]-3-(trifluoromethyl)pyridine-2-carboxamide
SMILESCN(C)CC1(NC(=O)c2ncccc2C(F)(F)F)CCN(C)CC1
InChIInChI=1S/C16H23F3N4O/c1-22(2)11-15(6-9-23(3)10-7-15)21-14(24)13-12(16(17,18)19)5-4-8-20-13/h4-5,8H,6-7,9-11H2,1-3H3,(H,21,24)
InChIKeyGHKRUTRYEHCAGO-UHFFFAOYSA-N
XLogP1.86
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(dimethylamino)methyl]-1-methylpiperidin-4-yl]-3-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[4-[(dimethylamino)methyl]-1-methylpiperidin-4-yl]-3-(trifluoromethyl)pyridine-2-carboxamide (CID 134435108) is N-[4-[(dimethylamino)methyl]-1-methylpiperidin-4-yl]-3-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[4-[(dimethylamino)methyl]-1-methylpiperidin-4-yl]-3-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[4-[(dimethylamino)methyl]-1-methylpiperidin-4-yl]-3-(trifluoromethyl)pyridine-2-carboxamide is CN(C)CC1(NC(=O)c2ncccc2C(F)(F)F)CCN(C)CC1.
What is the InChIKey of N-[4-[(dimethylamino)methyl]-1-methylpiperidin-4-yl]-3-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is GHKRUTRYEHCAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N4O/c1-22(2)11-15(6-9-23(3)10-7-15)21-14(24)13-12(16(17,18)19)5-4-8-20-13/h4-5,8H,6-7,9-11H2,1-3H3,(H,21,24).
What are the key properties of N-[4-[(dimethylamino)methyl]-1-methylpiperidin-4-yl]-3-(trifluoromethyl)pyridine-2-carboxamide?
N-[4-[(dimethylamino)methyl]-1-methylpiperidin-4-yl]-3-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 344.38 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(dimethylamino)methyl]-1-methylpiperidin-4-yl]-3-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 134435108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).