2-[2-[methyl(propan-2-yl)amino]ethylamino]-6-(trifluoromethyl)pyridine-3-carboxamide

C13H19F3N4O — CID 79875508

IUPAC2-[2-[methyl(propan-2-yl)amino]ethylamino]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCC(C)N(C)CCNc1nc(C(F)(F)F)ccc1C(N)=O
InChIInChI=1S/C13H19F3N4O/c1-8(2)20(3)7-6-18-12-9(11(17)21)4-5-10(19-12)13(14,15)16/h4-5,8H,6-7H2,1-3H3,(H2,17,21)(H,18,19)
InChIKeyOYJJRZUEBFFADN-UHFFFAOYSA-N
MW304.32 g/mol
LogP1.95
Rot. Bonds6

About 2-[2-[methyl(propan-2-yl)amino]ethylamino]-6-(trifluoromethyl)pyridine-3-carboxamide

2-[2-[methyl(propan-2-yl)amino]ethylamino]-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 79875508) has the molecular formula C13H19F3N4O and a molecular weight of 304.32 g/mol. Its IUPAC name is 2-[2-[methyl(propan-2-yl)amino]ethylamino]-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[2-[methyl(propan-2-yl)amino]ethylamino]-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID79875508
Molecular FormulaC13H19F3N4O
Molecular Weight304.32 g/mol
Exact Mass304.15
IUPAC Name2-[2-[methyl(propan-2-yl)amino]ethylamino]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCC(C)N(C)CCNc1nc(C(F)(F)F)ccc1C(N)=O
InChIInChI=1S/C13H19F3N4O/c1-8(2)20(3)7-6-18-12-9(11(17)21)4-5-10(19-12)13(14,15)16/h4-5,8H,6-7H2,1-3H3,(H2,17,21)(H,18,19)
InChIKeyOYJJRZUEBFFADN-UHFFFAOYSA-N
XLogP1.95
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[methyl(propan-2-yl)amino]ethylamino]-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 2-[2-[methyl(propan-2-yl)amino]ethylamino]-6-(trifluoromethyl)pyridine-3-carboxamide (CID 79875508) is 2-[2-[methyl(propan-2-yl)amino]ethylamino]-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-[2-[methyl(propan-2-yl)amino]ethylamino]-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-[2-[methyl(propan-2-yl)amino]ethylamino]-6-(trifluoromethyl)pyridine-3-carboxamide is CC(C)N(C)CCNc1nc(C(F)(F)F)ccc1C(N)=O.
What is the InChIKey of 2-[2-[methyl(propan-2-yl)amino]ethylamino]-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is OYJJRZUEBFFADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4O/c1-8(2)20(3)7-6-18-12-9(11(17)21)4-5-10(19-12)13(14,15)16/h4-5,8H,6-7H2,1-3H3,(H2,17,21)(H,18,19).
What are the key properties of 2-[2-[methyl(propan-2-yl)amino]ethylamino]-6-(trifluoromethyl)pyridine-3-carboxamide?
2-[2-[methyl(propan-2-yl)amino]ethylamino]-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 304.32 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[methyl(propan-2-yl)amino]ethylamino]-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 79875508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).