N-(1-cyclohexyl-2,2,2-trifluoroethyl)-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide

C17H23F3N2O2 — CID 155954674

IUPACN-(1-cyclohexyl-2,2,2-trifluoroethyl)-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide
SMILESCC(C)c1ccc(C(=O)NC(C2CCCCC2)C(F)(F)F)c(=O)[nH]1
InChIInChI=1S/C17H23F3N2O2/c1-10(2)13-9-8-12(15(23)21-13)16(24)22-14(17(18,19)20)11-6-4-3-5-7-11/h8-11,14H,3-7H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyNMGGHYWCEPRPAO-UHFFFAOYSA-N
MW344.38 g/mol
LogP3.74
Rot. Bonds4

About N-(1-cyclohexyl-2,2,2-trifluoroethyl)-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide

N-(1-cyclohexyl-2,2,2-trifluoroethyl)-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide (PubChem CID 155954674) has the molecular formula C17H23F3N2O2 and a molecular weight of 344.38 g/mol. Its IUPAC name is N-(1-cyclohexyl-2,2,2-trifluoroethyl)-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-cyclohexyl-2,2,2-trifluoroethyl)-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide
PubChem CID155954674
Molecular FormulaC17H23F3N2O2
Molecular Weight344.38 g/mol
Exact Mass344.17
IUPAC NameN-(1-cyclohexyl-2,2,2-trifluoroethyl)-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide
SMILESCC(C)c1ccc(C(=O)NC(C2CCCCC2)C(F)(F)F)c(=O)[nH]1
InChIInChI=1S/C17H23F3N2O2/c1-10(2)13-9-8-12(15(23)21-13)16(24)22-14(17(18,19)20)11-6-4-3-5-7-11/h8-11,14H,3-7H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyNMGGHYWCEPRPAO-UHFFFAOYSA-N
XLogP3.74
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexyl-2,2,2-trifluoroethyl)-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide?
The IUPAC name of N-(1-cyclohexyl-2,2,2-trifluoroethyl)-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide (CID 155954674) is N-(1-cyclohexyl-2,2,2-trifluoroethyl)-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(1-cyclohexyl-2,2,2-trifluoroethyl)-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(1-cyclohexyl-2,2,2-trifluoroethyl)-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide is CC(C)c1ccc(C(=O)NC(C2CCCCC2)C(F)(F)F)c(=O)[nH]1.
What is the InChIKey of N-(1-cyclohexyl-2,2,2-trifluoroethyl)-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide?
The InChIKey is NMGGHYWCEPRPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N2O2/c1-10(2)13-9-8-12(15(23)21-13)16(24)22-14(17(18,19)20)11-6-4-3-5-7-11/h8-11,14H,3-7H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-(1-cyclohexyl-2,2,2-trifluoroethyl)-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide?
N-(1-cyclohexyl-2,2,2-trifluoroethyl)-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide has a molecular weight of 344.38 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexyl-2,2,2-trifluoroethyl)-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide is sourced from PubChem (CID 155954674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).