6-oxo-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1H-pyridine-3-carboxamide

C16H16F3N5O2 — CID 91631417

IUPAC6-oxo-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1H-pyridine-3-carboxamide
SMILESO=C(NC1CCN(c2cc(C(F)(F)F)ncn2)CC1)c1ccc(=O)[nH]c1
InChIInChI=1S/C16H16F3N5O2/c17-16(18,19)12-7-13(22-9-21-12)24-5-3-11(4-6-24)23-15(26)10-1-2-14(25)20-8-10/h1-2,7-9,11H,3-6H2,(H,20,25)(H,23,26)
InChIKeyZFKWORGUIOYSAJ-UHFFFAOYSA-N
MW367.33 g/mol
LogP1.58
Rot. Bonds3

About 6-oxo-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1H-pyridine-3-carboxamide

6-oxo-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1H-pyridine-3-carboxamide (PubChem CID 91631417) has the molecular formula C16H16F3N5O2 and a molecular weight of 367.33 g/mol. Its IUPAC name is 6-oxo-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1H-pyridine-3-carboxamide
PubChem CID91631417
Molecular FormulaC16H16F3N5O2
Molecular Weight367.33 g/mol
Exact Mass367.13
IUPAC Name6-oxo-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1H-pyridine-3-carboxamide
SMILESO=C(NC1CCN(c2cc(C(F)(F)F)ncn2)CC1)c1ccc(=O)[nH]c1
InChIInChI=1S/C16H16F3N5O2/c17-16(18,19)12-7-13(22-9-21-12)24-5-3-11(4-6-24)23-15(26)10-1-2-14(25)20-8-10/h1-2,7-9,11H,3-6H2,(H,20,25)(H,23,26)
InChIKeyZFKWORGUIOYSAJ-UHFFFAOYSA-N
XLogP1.58
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.33
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1H-pyridine-3-carboxamide?
The IUPAC name of 6-oxo-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1H-pyridine-3-carboxamide (CID 91631417) is 6-oxo-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-oxo-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1H-pyridine-3-carboxamide is O=C(NC1CCN(c2cc(C(F)(F)F)ncn2)CC1)c1ccc(=O)[nH]c1.
What is the InChIKey of 6-oxo-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1H-pyridine-3-carboxamide?
The InChIKey is ZFKWORGUIOYSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N5O2/c17-16(18,19)12-7-13(22-9-21-12)24-5-3-11(4-6-24)23-15(26)10-1-2-14(25)20-8-10/h1-2,7-9,11H,3-6H2,(H,20,25)(H,23,26).
What are the key properties of 6-oxo-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1H-pyridine-3-carboxamide?
6-oxo-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1H-pyridine-3-carboxamide has a molecular weight of 367.33 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 91631417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).