6-(6-oxo-1H-pyridin-2-yl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide

C18H19F3N4O2 — CID 118736801

IUPAC6-(6-oxo-1H-pyridin-2-yl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide
SMILESO=C(NC1CCN(CC(F)(F)F)CC1)c1ccc(-c2cccc(=O)[nH]2)nc1
InChIInChI=1S/C18H19F3N4O2/c19-18(20,21)11-25-8-6-13(7-9-25)23-17(27)12-4-5-14(22-10-12)15-2-1-3-16(26)24-15/h1-5,10,13H,6-9,11H2,(H,23,27)(H,24,26)
InChIKeyLPNANDGJENVCFD-UHFFFAOYSA-N
MW380.37 g/mol
LogP2.19
Rot. Bonds4

About 6-(6-oxo-1H-pyridin-2-yl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide

6-(6-oxo-1H-pyridin-2-yl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide (PubChem CID 118736801) has the molecular formula C18H19F3N4O2 and a molecular weight of 380.37 g/mol. Its IUPAC name is 6-(6-oxo-1H-pyridin-2-yl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(6-oxo-1H-pyridin-2-yl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide
PubChem CID118736801
Molecular FormulaC18H19F3N4O2
Molecular Weight380.37 g/mol
Exact Mass380.15
IUPAC Name6-(6-oxo-1H-pyridin-2-yl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide
SMILESO=C(NC1CCN(CC(F)(F)F)CC1)c1ccc(-c2cccc(=O)[nH]2)nc1
InChIInChI=1S/C18H19F3N4O2/c19-18(20,21)11-25-8-6-13(7-9-25)23-17(27)12-4-5-14(22-10-12)15-2-1-3-16(26)24-15/h1-5,10,13H,6-9,11H2,(H,23,27)(H,24,26)
InChIKeyLPNANDGJENVCFD-UHFFFAOYSA-N
XLogP2.19
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-(6-oxo-1H-pyridin-2-yl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 6-(6-oxo-1H-pyridin-2-yl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of 6-(6-oxo-1H-pyridin-2-yl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide (CID 118736801) is 6-(6-oxo-1H-pyridin-2-yl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(6-oxo-1H-pyridin-2-yl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-(6-oxo-1H-pyridin-2-yl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide is O=C(NC1CCN(CC(F)(F)F)CC1)c1ccc(-c2cccc(=O)[nH]2)nc1.
What is the InChIKey of 6-(6-oxo-1H-pyridin-2-yl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide?
The InChIKey is LPNANDGJENVCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O2/c19-18(20,21)11-25-8-6-13(7-9-25)23-17(27)12-4-5-14(22-10-12)15-2-1-3-16(26)24-15/h1-5,10,13H,6-9,11H2,(H,23,27)(H,24,26).
What are the key properties of 6-(6-oxo-1H-pyridin-2-yl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide?
6-(6-oxo-1H-pyridin-2-yl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 380.37 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-oxo-1H-pyridin-2-yl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 118736801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).