2-(1-cyclopentylethylamino)-6-(trifluoromethyl)pyridine-3-carboxamide

C14H18F3N3O — CID 79875671

IUPAC2-(1-cyclopentylethylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCC(Nc1nc(C(F)(F)F)ccc1C(N)=O)C1CCCC1
InChIInChI=1S/C14H18F3N3O/c1-8(9-4-2-3-5-9)19-13-10(12(18)21)6-7-11(20-13)14(15,16)17/h6-9H,2-5H2,1H3,(H2,18,21)(H,19,20)
InChIKeyAOTPQXGOZRJQCE-UHFFFAOYSA-N
MW301.31 g/mol
LogP3.19
Rot. Bonds4

About 2-(1-cyclopentylethylamino)-6-(trifluoromethyl)pyridine-3-carboxamide

2-(1-cyclopentylethylamino)-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 79875671) has the molecular formula C14H18F3N3O and a molecular weight of 301.31 g/mol. Its IUPAC name is 2-(1-cyclopentylethylamino)-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(1-cyclopentylethylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID79875671
Molecular FormulaC14H18F3N3O
Molecular Weight301.31 g/mol
Exact Mass301.14
IUPAC Name2-(1-cyclopentylethylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCC(Nc1nc(C(F)(F)F)ccc1C(N)=O)C1CCCC1
InChIInChI=1S/C14H18F3N3O/c1-8(9-4-2-3-5-9)19-13-10(12(18)21)6-7-11(20-13)14(15,16)17/h6-9H,2-5H2,1H3,(H2,18,21)(H,19,20)
InChIKeyAOTPQXGOZRJQCE-UHFFFAOYSA-N
XLogP3.19
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopentylethylamino)-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 2-(1-cyclopentylethylamino)-6-(trifluoromethyl)pyridine-3-carboxamide (CID 79875671) is 2-(1-cyclopentylethylamino)-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(1-cyclopentylethylamino)-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-(1-cyclopentylethylamino)-6-(trifluoromethyl)pyridine-3-carboxamide is CC(Nc1nc(C(F)(F)F)ccc1C(N)=O)C1CCCC1.
What is the InChIKey of 2-(1-cyclopentylethylamino)-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is AOTPQXGOZRJQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O/c1-8(9-4-2-3-5-9)19-13-10(12(18)21)6-7-11(20-13)14(15,16)17/h6-9H,2-5H2,1H3,(H2,18,21)(H,19,20).
What are the key properties of 2-(1-cyclopentylethylamino)-6-(trifluoromethyl)pyridine-3-carboxamide?
2-(1-cyclopentylethylamino)-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 301.31 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopentylethylamino)-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 79875671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).