2-[2-(1H-imidazol-5-yl)ethylamino]-6-(trifluoromethyl)pyridine-3-carboxamide

C12H12F3N5O — CID 79875539

IUPAC2-[2-(1H-imidazol-5-yl)ethylamino]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESNC(=O)c1ccc(C(F)(F)F)nc1NCCc1cnc[nH]1
InChIInChI=1S/C12H12F3N5O/c13-12(14,15)9-2-1-8(10(16)21)11(20-9)18-4-3-7-5-17-6-19-7/h1-2,5-6H,3-4H2,(H2,16,21)(H,17,19)(H,18,20)
InChIKeyJUBJRUHLAXURQB-UHFFFAOYSA-N
MW299.26 g/mol
LogP1.58
Rot. Bonds5

About 2-[2-(1H-imidazol-5-yl)ethylamino]-6-(trifluoromethyl)pyridine-3-carboxamide

2-[2-(1H-imidazol-5-yl)ethylamino]-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 79875539) has the molecular formula C12H12F3N5O and a molecular weight of 299.26 g/mol. Its IUPAC name is 2-[2-(1H-imidazol-5-yl)ethylamino]-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[2-(1H-imidazol-5-yl)ethylamino]-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID79875539
Molecular FormulaC12H12F3N5O
Molecular Weight299.26 g/mol
Exact Mass299.10
IUPAC Name2-[2-(1H-imidazol-5-yl)ethylamino]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESNC(=O)c1ccc(C(F)(F)F)nc1NCCc1cnc[nH]1
InChIInChI=1S/C12H12F3N5O/c13-12(14,15)9-2-1-8(10(16)21)11(20-9)18-4-3-7-5-17-6-19-7/h1-2,5-6H,3-4H2,(H2,16,21)(H,17,19)(H,18,20)
InChIKeyJUBJRUHLAXURQB-UHFFFAOYSA-N
XLogP1.58
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.26
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-aminopropylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79877730
2-[2-(1H-1,2,4-triazol-5-yl)ethylamino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79875536
N-[2-(1H-imidazol-5-yl)ethyl]-6-(trifluoromethyl)pyridin-2-amine
CID 65232549
2-(2-methoxyethylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79869543
2-[2-(1,3-thiazol-4-yl)ethylamino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79875665
2-(4-methylpentylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79868797
2-(hexylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79869081
2-[[3-(dimethylamino)-3-oxopropyl]amino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79875486
2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 106277197
6-(trifluoromethyl)-2-(3,3,3-trifluoropropylamino)pyridine-3-carbothioamide
CID 79877179
2-(2,3-dimethylbutylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79868802
4-[2-(1H-imidazol-5-yl)ethylamino]benzenesulfonic acid
CID 22146865

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-imidazol-5-yl)ethylamino]-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 2-[2-(1H-imidazol-5-yl)ethylamino]-6-(trifluoromethyl)pyridine-3-carboxamide (CID 79875539) is 2-[2-(1H-imidazol-5-yl)ethylamino]-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-[2-(1H-imidazol-5-yl)ethylamino]-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-[2-(1H-imidazol-5-yl)ethylamino]-6-(trifluoromethyl)pyridine-3-carboxamide is NC(=O)c1ccc(C(F)(F)F)nc1NCCc1cnc[nH]1.
What is the InChIKey of 2-[2-(1H-imidazol-5-yl)ethylamino]-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is JUBJRUHLAXURQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N5O/c13-12(14,15)9-2-1-8(10(16)21)11(20-9)18-4-3-7-5-17-6-19-7/h1-2,5-6H,3-4H2,(H2,16,21)(H,17,19)(H,18,20).
What are the key properties of 2-[2-(1H-imidazol-5-yl)ethylamino]-6-(trifluoromethyl)pyridine-3-carboxamide?
2-[2-(1H-imidazol-5-yl)ethylamino]-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 299.26 g/mol, XLogP of 1.58, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1H-imidazol-5-yl)ethylamino]-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 79875539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).