N-(1-cyclopropylethyl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide

C13H15F3N2O2 — CID 60716731

IUPACN-(1-cyclopropylethyl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide
SMILESCC(C1CC1)N(CC(F)(F)F)C(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C13H15F3N2O2/c1-8(9-2-3-9)18(7-13(14,15)16)12(20)10-4-5-11(19)17-6-10/h4-6,8-9H,2-3,7H2,1H3,(H,17,19)
InChIKeyFLBKQGLQDDWSJQ-UHFFFAOYSA-N
MW288.27 g/mol
LogP2.18
Rot. Bonds4

About N-(1-cyclopropylethyl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide

N-(1-cyclopropylethyl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide (PubChem CID 60716731) has the molecular formula C13H15F3N2O2 and a molecular weight of 288.27 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide
PubChem CID60716731
Molecular FormulaC13H15F3N2O2
Molecular Weight288.27 g/mol
Exact Mass288.11
IUPAC NameN-(1-cyclopropylethyl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide
SMILESCC(C1CC1)N(CC(F)(F)F)C(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C13H15F3N2O2/c1-8(9-2-3-9)18(7-13(14,15)16)12(20)10-4-5-11(19)17-6-10/h4-6,8-9H,2-3,7H2,1H3,(H,17,19)
InChIKeyFLBKQGLQDDWSJQ-UHFFFAOYSA-N
XLogP2.18
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-(1-cyclopropylethyl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide (CID 60716731) is N-(1-cyclopropylethyl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(1-cyclopropylethyl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(1-cyclopropylethyl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide is CC(C1CC1)N(CC(F)(F)F)C(=O)c1ccc(=O)[nH]c1.
What is the InChIKey of N-(1-cyclopropylethyl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide?
The InChIKey is FLBKQGLQDDWSJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O2/c1-8(9-2-3-9)18(7-13(14,15)16)12(20)10-4-5-11(19)17-6-10/h4-6,8-9H,2-3,7H2,1H3,(H,17,19).
What are the key properties of N-(1-cyclopropylethyl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide?
N-(1-cyclopropylethyl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide has a molecular weight of 288.27 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 60716731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).