5-[2,2-difluoro-1-[(2-fluoro-2-methylpropanoyl)amino]ethyl]pyridine-3-carboxamide

C12H14F3N3O2 — CID 140771652

IUPAC5-[2,2-difluoro-1-[(2-fluoro-2-methylpropanoyl)amino]ethyl]pyridine-3-carboxamide
SMILESCC(C)(F)C(=O)NC(c1cncc(C(N)=O)c1)C(F)F
InChIInChI=1S/C12H14F3N3O2/c1-12(2,15)11(20)18-8(9(13)14)6-3-7(10(16)19)5-17-4-6/h3-5,8-9H,1-2H3,(H2,16,19)(H,18,20)
InChIKeyDEJWYQFVTRPGFO-UHFFFAOYSA-N
MW289.26 g/mol
LogP1.35
Rot. Bonds5

About 5-[2,2-difluoro-1-[(2-fluoro-2-methylpropanoyl)amino]ethyl]pyridine-3-carboxamide

5-[2,2-difluoro-1-[(2-fluoro-2-methylpropanoyl)amino]ethyl]pyridine-3-carboxamide (PubChem CID 140771652) has the molecular formula C12H14F3N3O2 and a molecular weight of 289.26 g/mol. Its IUPAC name is 5-[2,2-difluoro-1-[(2-fluoro-2-methylpropanoyl)amino]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[2,2-difluoro-1-[(2-fluoro-2-methylpropanoyl)amino]ethyl]pyridine-3-carboxamide
PubChem CID140771652
Molecular FormulaC12H14F3N3O2
Molecular Weight289.26 g/mol
Exact Mass289.10
IUPAC Name5-[2,2-difluoro-1-[(2-fluoro-2-methylpropanoyl)amino]ethyl]pyridine-3-carboxamide
SMILESCC(C)(F)C(=O)NC(c1cncc(C(N)=O)c1)C(F)F
InChIInChI=1S/C12H14F3N3O2/c1-12(2,15)11(20)18-8(9(13)14)6-3-7(10(16)19)5-17-4-6/h3-5,8-9H,1-2H3,(H2,16,19)(H,18,20)
InChIKeyDEJWYQFVTRPGFO-UHFFFAOYSA-N
XLogP1.35
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-[2,2-difluoro-1-[(2-fluoro-2-methylpropanoyl)amino]ethyl]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

5-(1,1-difluoroethyl)pyridine-3-carboxamide
CID 170579428
5-tert-butylpyridine-3-carboxamide
CID 59788901
5-(1-amino-2-hydroxypropyl)pyridine-3-carboxylic acid
CID 55268758
5-[(R)-amino(cyclopropyl)methyl]pyridine-3-carboxamide
CID 55275088
2-methylpropane;5-methylpyridine-3-carboxamide
CID 165136425
5-(trifluoromethylsulfanyl)pyridine-3-carboxamide
CID 119054574
5-(3-chloro-1,2-dihydroxypropyl)pyridine-3-carboxamide
CID 171862032
5-N-(1,3-dihydroxy-2-methylpropan-2-yl)pyridine-3,5-dicarboxamide
CID 150640847
5-[(2R)-2-amino-1-hydroxypropan-2-yl]pyridine-3-carboxamide
CID 130640858
5-N-(1,3-dihydroxypropan-2-yl)pyridine-3,5-dicarboxamide
CID 151969926
5-[(1R)-1-(methylamino)ethyl]pyridine-3-carboxylic acid
CID 131138422
2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetic acid;hydrochloride
CID 164753160

Frequently Asked Questions

What is the IUPAC name of 5-[2,2-difluoro-1-[(2-fluoro-2-methylpropanoyl)amino]ethyl]pyridine-3-carboxamide?
The IUPAC name of 5-[2,2-difluoro-1-[(2-fluoro-2-methylpropanoyl)amino]ethyl]pyridine-3-carboxamide (CID 140771652) is 5-[2,2-difluoro-1-[(2-fluoro-2-methylpropanoyl)amino]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-[2,2-difluoro-1-[(2-fluoro-2-methylpropanoyl)amino]ethyl]pyridine-3-carboxamide?
The canonical SMILES for 5-[2,2-difluoro-1-[(2-fluoro-2-methylpropanoyl)amino]ethyl]pyridine-3-carboxamide is CC(C)(F)C(=O)NC(c1cncc(C(N)=O)c1)C(F)F.
What is the InChIKey of 5-[2,2-difluoro-1-[(2-fluoro-2-methylpropanoyl)amino]ethyl]pyridine-3-carboxamide?
The InChIKey is DEJWYQFVTRPGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O2/c1-12(2,15)11(20)18-8(9(13)14)6-3-7(10(16)19)5-17-4-6/h3-5,8-9H,1-2H3,(H2,16,19)(H,18,20).
What are the key properties of 5-[2,2-difluoro-1-[(2-fluoro-2-methylpropanoyl)amino]ethyl]pyridine-3-carboxamide?
5-[2,2-difluoro-1-[(2-fluoro-2-methylpropanoyl)amino]ethyl]pyridine-3-carboxamide has a molecular weight of 289.26 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,2-difluoro-1-[(2-fluoro-2-methylpropanoyl)amino]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 140771652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).