N-[2-(diethylamino)-2-oxoethyl]-2,3-difluoropyridine-4-carboxamide

C12H15F2N3O2 — CID 105381540

IUPACN-[2-(diethylamino)-2-oxoethyl]-2,3-difluoropyridine-4-carboxamide
SMILESCCN(CC)C(=O)CNC(=O)c1ccnc(F)c1F
InChIInChI=1S/C12H15F2N3O2/c1-3-17(4-2)9(18)7-16-12(19)8-5-6-15-11(14)10(8)13/h5-6H,3-4,7H2,1-2H3,(H,16,19)
InChIKeyRYRUKJCCCXBTDY-UHFFFAOYSA-N
MW271.27 g/mol
LogP0.96
Rot. Bonds5

About N-[2-(diethylamino)-2-oxoethyl]-2,3-difluoropyridine-4-carboxamide

N-[2-(diethylamino)-2-oxoethyl]-2,3-difluoropyridine-4-carboxamide (PubChem CID 105381540) has the molecular formula C12H15F2N3O2 and a molecular weight of 271.27 g/mol. Its IUPAC name is N-[2-(diethylamino)-2-oxoethyl]-2,3-difluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-2-oxoethyl]-2,3-difluoropyridine-4-carboxamide
PubChem CID105381540
Molecular FormulaC12H15F2N3O2
Molecular Weight271.27 g/mol
Exact Mass271.11
IUPAC NameN-[2-(diethylamino)-2-oxoethyl]-2,3-difluoropyridine-4-carboxamide
SMILESCCN(CC)C(=O)CNC(=O)c1ccnc(F)c1F
InChIInChI=1S/C12H15F2N3O2/c1-3-17(4-2)9(18)7-16-12(19)8-5-6-15-11(14)10(8)13/h5-6H,3-4,7H2,1-2H3,(H,16,19)
InChIKeyRYRUKJCCCXBTDY-UHFFFAOYSA-N
XLogP0.96
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-acetamidoethyl)-2,3-difluoropyridine-4-carboxamide
CID 105380387
2,3-difluoro-N-(2-methoxyethyl)pyridine-4-carboxamide
CID 105380129
2,3-difluoro-N-(3-hydroxypropyl)pyridine-4-carboxamide
CID 105380583
N-ethyl-2,3-difluoro-N-(2-methylprop-2-enyl)pyridine-4-carboxamide
CID 105380283
N-[(3-ethoxyphenyl)methyl]-2,3-difluoropyridine-4-carboxamide
CID 105380764
N-[2-(diethylamino)-2-oxoethyl]-6-fluoropyridine-3-carboxamide
CID 112696045
2,3-difluoro-N-(3-hydroxybutyl)pyridine-4-carboxamide
CID 105381305
N-[2-(diethylamino)-2-oxoethyl]-5-fluoro-2-hydroxybenzamide
CID 115681928
2,3-difluoro-N-[3-(methylamino)-3-oxopropyl]pyridine-4-carboxamide
CID 105381092
2,3-difluoro-N-[(4-methyl-3-pyridinyl)methyl]pyridine-4-carboxamide
CID 105381682
N-ethyl-2,3-difluoro-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-4-carboxamide
CID 105380509
N-(3,3-difluoro-2-hydroxypropyl)-2,3-difluoropyridine-4-carboxamide
CID 107470818

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-2-oxoethyl]-2,3-difluoropyridine-4-carboxamide?
The IUPAC name of N-[2-(diethylamino)-2-oxoethyl]-2,3-difluoropyridine-4-carboxamide (CID 105381540) is N-[2-(diethylamino)-2-oxoethyl]-2,3-difluoropyridine-4-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)-2-oxoethyl]-2,3-difluoropyridine-4-carboxamide?
The canonical SMILES for N-[2-(diethylamino)-2-oxoethyl]-2,3-difluoropyridine-4-carboxamide is CCN(CC)C(=O)CNC(=O)c1ccnc(F)c1F.
What is the InChIKey of N-[2-(diethylamino)-2-oxoethyl]-2,3-difluoropyridine-4-carboxamide?
The InChIKey is RYRUKJCCCXBTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N3O2/c1-3-17(4-2)9(18)7-16-12(19)8-5-6-15-11(14)10(8)13/h5-6H,3-4,7H2,1-2H3,(H,16,19).
What are the key properties of N-[2-(diethylamino)-2-oxoethyl]-2,3-difluoropyridine-4-carboxamide?
N-[2-(diethylamino)-2-oxoethyl]-2,3-difluoropyridine-4-carboxamide has a molecular weight of 271.27 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-2-oxoethyl]-2,3-difluoropyridine-4-carboxamide is sourced from PubChem (CID 105381540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).