2,3-difluoro-N-[3-(methylamino)-3-oxopropyl]pyridine-4-carboxamide

C10H11F2N3O2 — CID 105381092

IUPAC2,3-difluoro-N-[3-(methylamino)-3-oxopropyl]pyridine-4-carboxamide
SMILESCNC(=O)CCNC(=O)c1ccnc(F)c1F
InChIInChI=1S/C10H11F2N3O2/c1-13-7(16)3-5-15-10(17)6-2-4-14-9(12)8(6)11/h2,4H,3,5H2,1H3,(H,13,16)(H,15,17)
InChIKeyHRLZAZAOPVZOPA-UHFFFAOYSA-N
MW243.21 g/mol
LogP0.23
Rot. Bonds4

About 2,3-difluoro-N-[3-(methylamino)-3-oxopropyl]pyridine-4-carboxamide

2,3-difluoro-N-[3-(methylamino)-3-oxopropyl]pyridine-4-carboxamide (PubChem CID 105381092) has the molecular formula C10H11F2N3O2 and a molecular weight of 243.21 g/mol. Its IUPAC name is 2,3-difluoro-N-[3-(methylamino)-3-oxopropyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2,3-difluoro-N-[3-(methylamino)-3-oxopropyl]pyridine-4-carboxamide
PubChem CID105381092
Molecular FormulaC10H11F2N3O2
Molecular Weight243.21 g/mol
Exact Mass243.08
IUPAC Name2,3-difluoro-N-[3-(methylamino)-3-oxopropyl]pyridine-4-carboxamide
SMILESCNC(=O)CCNC(=O)c1ccnc(F)c1F
InChIInChI=1S/C10H11F2N3O2/c1-13-7(16)3-5-15-10(17)6-2-4-14-9(12)8(6)11/h2,4H,3,5H2,1H3,(H,13,16)(H,15,17)
InChIKeyHRLZAZAOPVZOPA-UHFFFAOYSA-N
XLogP0.23
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.21
LogP ≤ 50.23
H-Bond Donors ≤ 52
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
2,3-difluoro-N-(7-methyloctyl)pyridine-4-carboxamide
CID 105380997
2,3-difluoro-N-(3-hydroxybutyl)pyridine-4-carboxamide
CID 105381305
3-fluoro-2-(methylamino)-N-[3-oxo-3-(propylamino)propyl]pyridine-4-carboxamide
CID 105385761
2,3-difluoro-N-(2-sulfamoylethyl)pyridine-4-carboxamide
CID 105380386
2,3-difluoro-N-(3-methylsulfinylbutyl)pyridine-4-carboxamide
CID 105381610
2,3-difluoro-N-(4-propan-2-yloxybutyl)pyridine-4-carboxamide
CID 107470719
N-(3,3-difluoro-2-hydroxypropyl)-2,3-difluoropyridine-4-carboxamide
CID 107470818
2-amino-3-fluoro-N-[3-oxo-3-(propan-2-ylamino)propyl]pyridine-4-carboxamide
CID 105387280
3-chloro-N-[3-(methylamino)-3-oxopropyl]pyridine-4-carboxamide
CID 66482781

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-[3-(methylamino)-3-oxopropyl]pyridine-4-carboxamide?
The IUPAC name of 2,3-difluoro-N-[3-(methylamino)-3-oxopropyl]pyridine-4-carboxamide (CID 105381092) is 2,3-difluoro-N-[3-(methylamino)-3-oxopropyl]pyridine-4-carboxamide.
What is the SMILES notation for 2,3-difluoro-N-[3-(methylamino)-3-oxopropyl]pyridine-4-carboxamide?
The canonical SMILES for 2,3-difluoro-N-[3-(methylamino)-3-oxopropyl]pyridine-4-carboxamide is CNC(=O)CCNC(=O)c1ccnc(F)c1F.
What is the InChIKey of 2,3-difluoro-N-[3-(methylamino)-3-oxopropyl]pyridine-4-carboxamide?
The InChIKey is HRLZAZAOPVZOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2N3O2/c1-13-7(16)3-5-15-10(17)6-2-4-14-9(12)8(6)11/h2,4H,3,5H2,1H3,(H,13,16)(H,15,17).
What are the key properties of 2,3-difluoro-N-[3-(methylamino)-3-oxopropyl]pyridine-4-carboxamide?
2,3-difluoro-N-[3-(methylamino)-3-oxopropyl]pyridine-4-carboxamide has a molecular weight of 243.21 g/mol, XLogP of 0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-N-[3-(methylamino)-3-oxopropyl]pyridine-4-carboxamide is sourced from PubChem (CID 105381092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).