2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pyridine-3-carboxamide

C9H10F3N3O2 — CID 113227750

IUPAC2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1NCC(O)C(F)(F)F
InChIInChI=1S/C9H10F3N3O2/c10-9(11,12)6(16)4-15-8-5(7(13)17)2-1-3-14-8/h1-3,6,16H,4H2,(H2,13,17)(H,14,15)
InChIKeySTDLWBAFJCTKIL-UHFFFAOYSA-N
MW249.19 g/mol
LogP0.52
Rot. Bonds4

About 2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pyridine-3-carboxamide

2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pyridine-3-carboxamide (PubChem CID 113227750) has the molecular formula C9H10F3N3O2 and a molecular weight of 249.19 g/mol. Its IUPAC name is 2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pyridine-3-carboxamide
PubChem CID113227750
Molecular FormulaC9H10F3N3O2
Molecular Weight249.19 g/mol
Exact Mass249.07
IUPAC Name2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1NCC(O)C(F)(F)F
InChIInChI=1S/C9H10F3N3O2/c10-9(11,12)6(16)4-15-8-5(7(13)17)2-1-3-14-8/h1-3,6,16H,4H2,(H2,13,17)(H,14,15)
InChIKeySTDLWBAFJCTKIL-UHFFFAOYSA-N
XLogP0.52
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.19
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]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-[(3-hydroxy-2-methylpropyl)amino]pyridine-3-carboxamide
CID 61360383
4-[(3-carbamoyl-2-pyridinyl)amino]-3-methylbutanoic acid
CID 81065361
2-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 12812716
2-(3-aminobutylamino)pyridine-3-carboxamide
CID 63251486
1,1,1-trifluoro-3-[(2-nitro-3-pyridinyl)amino]propan-2-ol
CID 113224700
2-(4-aminobutylamino)pyridine-3-carboxamide
CID 54122437
2-(butylamino)pyridine-3-carboxamide
CID 29031037
2-(2,3,3-trimethylbutylamino)pyridine-3-carbothioamide
CID 83144500
2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]pyridine-3-carboxamide
CID 113278138
1,1,1-trifluoro-3-(pyridazin-3-ylamino)propan-2-ol
CID 103702578
2-[[2-(dimethylamino)-2-oxoethyl]amino]pyridine-3-carboxamide
CID 43311020
2-[2-(methylsulfamoyl)ethylamino]pyridine-3-carboxamide
CID 106337875

Frequently Asked Questions

What is the IUPAC name of 2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pyridine-3-carboxamide?
The IUPAC name of 2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pyridine-3-carboxamide (CID 113227750) is 2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pyridine-3-carboxamide.
What is the SMILES notation for 2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pyridine-3-carboxamide?
The canonical SMILES for 2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pyridine-3-carboxamide is NC(=O)c1cccnc1NCC(O)C(F)(F)F.
What is the InChIKey of 2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pyridine-3-carboxamide?
The InChIKey is STDLWBAFJCTKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O2/c10-9(11,12)6(16)4-15-8-5(7(13)17)2-1-3-14-8/h1-3,6,16H,4H2,(H2,13,17)(H,14,15).
What are the key properties of 2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pyridine-3-carboxamide?
2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pyridine-3-carboxamide has a molecular weight of 249.19 g/mol, XLogP of 0.52, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 113227750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).