2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-6-(trifluoromethyl)pyridine-3-carboxamide

C12H15F3N4O2 — CID 79875124

IUPAC2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCC(C)NC(=O)CNc1nc(C(F)(F)F)ccc1C(N)=O
InChIInChI=1S/C12H15F3N4O2/c1-6(2)18-9(20)5-17-11-7(10(16)21)3-4-8(19-11)12(13,14)15/h3-4,6H,5H2,1-2H3,(H2,16,21)(H,17,19)(H,18,20)
InChIKeyKRWBVBHTJWLDQJ-UHFFFAOYSA-N
MW304.27 g/mol
LogP1.14
Rot. Bonds5

About 2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-6-(trifluoromethyl)pyridine-3-carboxamide

2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 79875124) has the molecular formula C12H15F3N4O2 and a molecular weight of 304.27 g/mol. Its IUPAC name is 2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID79875124
Molecular FormulaC12H15F3N4O2
Molecular Weight304.27 g/mol
Exact Mass304.11
IUPAC Name2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCC(C)NC(=O)CNc1nc(C(F)(F)F)ccc1C(N)=O
InChIInChI=1S/C12H15F3N4O2/c1-6(2)18-9(20)5-17-11-7(10(16)21)3-4-8(19-11)12(13,14)15/h3-4,6H,5H2,1-2H3,(H2,16,21)(H,17,19)(H,18,20)
InChIKeyKRWBVBHTJWLDQJ-UHFFFAOYSA-N
XLogP1.14
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-6-(trifluoromethyl)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-methylpropylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79869612
2-[(3-hydroxy-2-methylpropyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79869147
2-(2,3-dimethylbutylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79868802
2-(4-methylpentylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79868797
2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 106277197
2-[2-[methyl(propan-2-yl)amino]ethylamino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79875508
2-(cyclopentylmethylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79868718
2-[(2-hydroxy-2-methylbutyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79876734
2-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 106345572
2-(2-methoxyethylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79869543
2-(3-aminopropylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79877730
2-(hexylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79869081

Frequently Asked Questions

What is the IUPAC name of 2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-6-(trifluoromethyl)pyridine-3-carboxamide (CID 79875124) is 2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-6-(trifluoromethyl)pyridine-3-carboxamide is CC(C)NC(=O)CNc1nc(C(F)(F)F)ccc1C(N)=O.
What is the InChIKey of 2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is KRWBVBHTJWLDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N4O2/c1-6(2)18-9(20)5-17-11-7(10(16)21)3-4-8(19-11)12(13,14)15/h3-4,6H,5H2,1-2H3,(H2,16,21)(H,17,19)(H,18,20).
What are the key properties of 2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-6-(trifluoromethyl)pyridine-3-carboxamide?
2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 304.27 g/mol, XLogP of 1.14, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 79875124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).