2-[(6-amino-3,5-difluoro-2-pyridinyl)-methylamino]-N-propylacetamide

C11H16F2N4O — CID 114074255

IUPAC2-[(6-amino-3,5-difluoro-2-pyridinyl)-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)c1nc(N)c(F)cc1F
InChIInChI=1S/C11H16F2N4O/c1-3-4-15-9(18)6-17(2)11-8(13)5-7(12)10(14)16-11/h5H,3-4,6H2,1-2H3,(H2,14,16)(H,15,18)
InChIKeyVOYDQPGKPDMHMF-UHFFFAOYSA-N
MW258.27 g/mol
LogP0.90
Rot. Bonds5

About 2-[(6-amino-3,5-difluoro-2-pyridinyl)-methylamino]-N-propylacetamide

2-[(6-amino-3,5-difluoro-2-pyridinyl)-methylamino]-N-propylacetamide (PubChem CID 114074255) has the molecular formula C11H16F2N4O and a molecular weight of 258.27 g/mol. Its IUPAC name is 2-[(6-amino-3,5-difluoro-2-pyridinyl)-methylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[(6-amino-3,5-difluoro-2-pyridinyl)-methylamino]-N-propylacetamide
PubChem CID114074255
Molecular FormulaC11H16F2N4O
Molecular Weight258.27 g/mol
Exact Mass258.13
IUPAC Name2-[(6-amino-3,5-difluoro-2-pyridinyl)-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)c1nc(N)c(F)cc1F
InChIInChI=1S/C11H16F2N4O/c1-3-4-15-9(18)6-17(2)11-8(13)5-7(12)10(14)16-11/h5H,3-4,6H2,1-2H3,(H2,14,16)(H,15,18)
InChIKeyVOYDQPGKPDMHMF-UHFFFAOYSA-N
XLogP0.90
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-aminoquinoxalin-2-yl)-methylamino]-N-propylacetamide
CID 102985844
2-[(6-amino-2,5-dimethylpyrimidin-4-yl)-methylamino]-N-propylacetamide
CID 80808785
2-[(3-amino-6-methyl-2-pyridinyl)-methylamino]-N-propylacetamide
CID 81132684
2-(2-amino-4-fluoro-N,5-dimethylanilino)-N-propylacetamide
CID 103590092
2-[(3-carbamothioyl-4,6-dimethyl-2-pyridinyl)-methylamino]-N-propylacetamide
CID 61452449
2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)-methylamino]-N-propylacetamide
CID 80986192
2-[(2-amino-5-chloropyrimidin-4-yl)-methylamino]-N-propylacetamide
CID 80808691
2-[(5-amino-6-chloropyrimidin-4-yl)-methylamino]-N-propylacetamide
CID 55142736
2-[[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]-methylamino]-N-propylacetamide
CID 79873585
2-[[2-(5-amino-2-fluoroanilino)-2-oxoethyl]-methylamino]-N-propylacetamide
CID 61450515
2-[(2-amino-6-methoxypyrimidin-4-yl)-methylamino]-N-propylacetamide
CID 114053145
2-(4-carbamothioyl-2-fluoro-N-methylanilino)-N-propylacetamide
CID 61452418

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-3,5-difluoro-2-pyridinyl)-methylamino]-N-propylacetamide?
The IUPAC name of 2-[(6-amino-3,5-difluoro-2-pyridinyl)-methylamino]-N-propylacetamide (CID 114074255) is 2-[(6-amino-3,5-difluoro-2-pyridinyl)-methylamino]-N-propylacetamide.
What is the SMILES notation for 2-[(6-amino-3,5-difluoro-2-pyridinyl)-methylamino]-N-propylacetamide?
The canonical SMILES for 2-[(6-amino-3,5-difluoro-2-pyridinyl)-methylamino]-N-propylacetamide is CCCNC(=O)CN(C)c1nc(N)c(F)cc1F.
What is the InChIKey of 2-[(6-amino-3,5-difluoro-2-pyridinyl)-methylamino]-N-propylacetamide?
The InChIKey is VOYDQPGKPDMHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N4O/c1-3-4-15-9(18)6-17(2)11-8(13)5-7(12)10(14)16-11/h5H,3-4,6H2,1-2H3,(H2,14,16)(H,15,18).
What are the key properties of 2-[(6-amino-3,5-difluoro-2-pyridinyl)-methylamino]-N-propylacetamide?
2-[(6-amino-3,5-difluoro-2-pyridinyl)-methylamino]-N-propylacetamide has a molecular weight of 258.27 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-3,5-difluoro-2-pyridinyl)-methylamino]-N-propylacetamide is sourced from PubChem (CID 114074255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).