N-[2-(tert-butylamino)-2-oxoethyl]-2,3-difluoro-N-methylpyridine-4-carboxamide

C13H17F2N3O2 — CID 105380465

IUPACN-[2-(tert-butylamino)-2-oxoethyl]-2,3-difluoro-N-methylpyridine-4-carboxamide
SMILESCN(CC(=O)NC(C)(C)C)C(=O)c1ccnc(F)c1F
InChIInChI=1S/C13H17F2N3O2/c1-13(2,3)17-9(19)7-18(4)12(20)8-5-6-16-11(15)10(8)14/h5-6H,7H2,1-4H3,(H,17,19)
InChIKeyIGYOXYRZOUIAMR-UHFFFAOYSA-N
MW285.29 g/mol
LogP1.35
Rot. Bonds3

About N-[2-(tert-butylamino)-2-oxoethyl]-2,3-difluoro-N-methylpyridine-4-carboxamide

N-[2-(tert-butylamino)-2-oxoethyl]-2,3-difluoro-N-methylpyridine-4-carboxamide (PubChem CID 105380465) has the molecular formula C13H17F2N3O2 and a molecular weight of 285.29 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-2,3-difluoro-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxoethyl]-2,3-difluoro-N-methylpyridine-4-carboxamide
PubChem CID105380465
Molecular FormulaC13H17F2N3O2
Molecular Weight285.29 g/mol
Exact Mass285.13
IUPAC NameN-[2-(tert-butylamino)-2-oxoethyl]-2,3-difluoro-N-methylpyridine-4-carboxamide
SMILESCN(CC(=O)NC(C)(C)C)C(=O)c1ccnc(F)c1F
InChIInChI=1S/C13H17F2N3O2/c1-13(2,3)17-9(19)7-18(4)12(20)8-5-6-16-11(15)10(8)14/h5-6H,7H2,1-4H3,(H,17,19)
InChIKeyIGYOXYRZOUIAMR-UHFFFAOYSA-N
XLogP1.35
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.29
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-[2-(tert-butylamino)-2-oxoethyl]-2,3-difluoro-N-methylpyridine-4-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-2,3-difluoro-N-methylpyridine-4-carboxamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-2,3-difluoro-N-methylpyridine-4-carboxamide (CID 105380465) is N-[2-(tert-butylamino)-2-oxoethyl]-2,3-difluoro-N-methylpyridine-4-carboxamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-2,3-difluoro-N-methylpyridine-4-carboxamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-2,3-difluoro-N-methylpyridine-4-carboxamide is CN(CC(=O)NC(C)(C)C)C(=O)c1ccnc(F)c1F.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxoethyl]-2,3-difluoro-N-methylpyridine-4-carboxamide?
The InChIKey is IGYOXYRZOUIAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N3O2/c1-13(2,3)17-9(19)7-18(4)12(20)8-5-6-16-11(15)10(8)14/h5-6H,7H2,1-4H3,(H,17,19).
What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-2,3-difluoro-N-methylpyridine-4-carboxamide?
N-[2-(tert-butylamino)-2-oxoethyl]-2,3-difluoro-N-methylpyridine-4-carboxamide has a molecular weight of 285.29 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxoethyl]-2,3-difluoro-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 105380465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).