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

C13H17F2N3O3 — CID 105380806

IUPAC2,3-difluoro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylpyridine-4-carboxamide
SMILESCOCCCNC(=O)CN(C)C(=O)c1ccnc(F)c1F
InChIInChI=1S/C13H17F2N3O3/c1-18(8-10(19)16-5-3-7-21-2)13(20)9-4-6-17-12(15)11(9)14/h4,6H,3,5,7-8H2,1-2H3,(H,16,19)
InChIKeyGGAFAUWOWCJNPY-UHFFFAOYSA-N
MW301.29 g/mol
LogP0.58
Rot. Bonds7

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

2,3-difluoro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylpyridine-4-carboxamide (PubChem CID 105380806) has the molecular formula C13H17F2N3O3 and a molecular weight of 301.29 g/mol. Its IUPAC name is 2,3-difluoro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name2,3-difluoro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylpyridine-4-carboxamide
PubChem CID105380806
Molecular FormulaC13H17F2N3O3
Molecular Weight301.29 g/mol
Exact Mass301.12
IUPAC Name2,3-difluoro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylpyridine-4-carboxamide
SMILESCOCCCNC(=O)CN(C)C(=O)c1ccnc(F)c1F
InChIInChI=1S/C13H17F2N3O3/c1-18(8-10(19)16-5-3-7-21-2)13(20)9-4-6-17-12(15)11(9)14/h4,6H,3,5,7-8H2,1-2H3,(H,16,19)
InChIKeyGGAFAUWOWCJNPY-UHFFFAOYSA-N
XLogP0.58
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.29
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-2-fluoro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide
CID 106547925
2,3-difluoro-N-(2-methoxyethyl)pyridine-4-carboxamide
CID 105380129
N-[2-(tert-butylamino)-2-oxoethyl]-2,3-difluoro-N-methylpyridine-4-carboxamide
CID 105380465
4-chloro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylpyridine-2-carboxamide
CID 60707787
2-chloro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide
CID 51307796
3-amino-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylpyridine-2-carboxamide
CID 104741760
N-[2-(dimethylamino)-2-oxoethyl]-2,3-difluoro-N-methylpyridine-4-carboxamide
CID 105380365
3-fluoro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,4-dimethylbenzamide
CID 51307897
methyl 3-[(2,3-difluoropyridine-4-carbonyl)-methylamino]propanoate
CID 105381063
N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,2,5-trimethylthiophene-3-carboxamide
CID 51095007
3-methoxy-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,1-dimethylpyrazole-4-carboxamide
CID 121092078
4-(dimethylamino)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide
CID 51098419

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylpyridine-4-carboxamide?
The IUPAC name of 2,3-difluoro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylpyridine-4-carboxamide (CID 105380806) is 2,3-difluoro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylpyridine-4-carboxamide.
What is the SMILES notation for 2,3-difluoro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylpyridine-4-carboxamide?
The canonical SMILES for 2,3-difluoro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylpyridine-4-carboxamide is COCCCNC(=O)CN(C)C(=O)c1ccnc(F)c1F.
What is the InChIKey of 2,3-difluoro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylpyridine-4-carboxamide?
The InChIKey is GGAFAUWOWCJNPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N3O3/c1-18(8-10(19)16-5-3-7-21-2)13(20)9-4-6-17-12(15)11(9)14/h4,6H,3,5,7-8H2,1-2H3,(H,16,19).
What are the key properties of 2,3-difluoro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylpyridine-4-carboxamide?
2,3-difluoro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylpyridine-4-carboxamide has a molecular weight of 301.29 g/mol, XLogP of 0.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 105380806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).