2,3-difluoro-N-(2-methylbut-3-yn-2-yl)pyridine-4-carboxamide

C11H10F2N2O — CID 105381262

IUPAC2,3-difluoro-N-(2-methylbut-3-yn-2-yl)pyridine-4-carboxamide
SMILESC#CC(C)(C)NC(=O)c1ccnc(F)c1F
InChIInChI=1S/C11H10F2N2O/c1-4-11(2,3)15-10(16)7-5-6-14-9(13)8(7)12/h1,5-6H,2-3H3,(H,15,16)
InChIKeyDMOICAGVANUSPE-UHFFFAOYSA-N
MW224.21 g/mol
LogP1.50
Rot. Bonds2

About 2,3-difluoro-N-(2-methylbut-3-yn-2-yl)pyridine-4-carboxamide

2,3-difluoro-N-(2-methylbut-3-yn-2-yl)pyridine-4-carboxamide (PubChem CID 105381262) has the molecular formula C11H10F2N2O and a molecular weight of 224.21 g/mol. Its IUPAC name is 2,3-difluoro-N-(2-methylbut-3-yn-2-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2,3-difluoro-N-(2-methylbut-3-yn-2-yl)pyridine-4-carboxamide
PubChem CID105381262
Molecular FormulaC11H10F2N2O
Molecular Weight224.21 g/mol
Exact Mass224.08
IUPAC Name2,3-difluoro-N-(2-methylbut-3-yn-2-yl)pyridine-4-carboxamide
SMILESC#CC(C)(C)NC(=O)c1ccnc(F)c1F
InChIInChI=1S/C11H10F2N2O/c1-4-11(2,3)15-10(16)7-5-6-14-9(13)8(7)12/h1,5-6H,2-3H3,(H,15,16)
InChIKeyDMOICAGVANUSPE-UHFFFAOYSA-N
XLogP1.50
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N-(2-methylbut-3-yn-2-yl)-3-(trifluoromethyl)benzamide
CID 79885632
N-(3,3-dimethylbutan-2-yl)-2,3-difluoropyridine-4-carboxamide
CID 91636239
2-(2-fluoroanilino)-N-(2-methylbut-3-yn-2-yl)pyridine-3-carboxamide
CID 90093021
1-(2,3-difluoro-4-pyridinyl)-2,2,2-trifluoroethanone
CID 171367494
2-fluoro-4-methyl-N-(2-methylbut-3-yn-2-yl)benzamide
CID 79795774
4-fluoro-N-(2-methylbut-3-yn-2-yl)naphthalene-1-carboxamide
CID 114088227
2,3-difluoro-N-(4-methylphenyl)pyridine-4-carboxamide
CID 105380183
N-(2-acetamidoethyl)-2,3-difluoropyridine-4-carboxamide
CID 105380387
tert-butyl (2S)-2-[(2,3-difluoropyridine-4-carbonyl)amino]propanoate
CID 107470506
2,3-difluoro-N-(2-prop-2-ynylsulfanylethyl)pyridine-4-carboxamide
CID 107470805
2,3-difluoro-N-(2-methoxyethyl)pyridine-4-carboxamide
CID 105380129
N-(1-cyanopropyl)-2,3-difluoropyridine-4-carboxamide
CID 103337419

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-(2-methylbut-3-yn-2-yl)pyridine-4-carboxamide?
The IUPAC name of 2,3-difluoro-N-(2-methylbut-3-yn-2-yl)pyridine-4-carboxamide (CID 105381262) is 2,3-difluoro-N-(2-methylbut-3-yn-2-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2,3-difluoro-N-(2-methylbut-3-yn-2-yl)pyridine-4-carboxamide?
The canonical SMILES for 2,3-difluoro-N-(2-methylbut-3-yn-2-yl)pyridine-4-carboxamide is C#CC(C)(C)NC(=O)c1ccnc(F)c1F.
What is the InChIKey of 2,3-difluoro-N-(2-methylbut-3-yn-2-yl)pyridine-4-carboxamide?
The InChIKey is DMOICAGVANUSPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2O/c1-4-11(2,3)15-10(16)7-5-6-14-9(13)8(7)12/h1,5-6H,2-3H3,(H,15,16).
What are the key properties of 2,3-difluoro-N-(2-methylbut-3-yn-2-yl)pyridine-4-carboxamide?
2,3-difluoro-N-(2-methylbut-3-yn-2-yl)pyridine-4-carboxamide has a molecular weight of 224.21 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-N-(2-methylbut-3-yn-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 105381262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).