5-[[3,5-difluoro-6-(propylamino)-2-pyridinyl]amino]pentanamide

C13H20F2N4O — CID 106241585

IUPAC5-[[3,5-difluoro-6-(propylamino)-2-pyridinyl]amino]pentanamide
SMILESCCCNc1nc(NCCCCC(N)=O)c(F)cc1F
InChIInChI=1S/C13H20F2N4O/c1-2-6-17-12-9(14)8-10(15)13(19-12)18-7-4-3-5-11(16)20/h8H,2-7H2,1H3,(H2,16,20)(H2,17,18,19)
InChIKeyQFLMPVCNBKMSDF-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.25
Rot. Bonds9

About 5-[[3,5-difluoro-6-(propylamino)-2-pyridinyl]amino]pentanamide

5-[[3,5-difluoro-6-(propylamino)-2-pyridinyl]amino]pentanamide (PubChem CID 106241585) has the molecular formula C13H20F2N4O and a molecular weight of 286.33 g/mol. Its IUPAC name is 5-[[3,5-difluoro-6-(propylamino)-2-pyridinyl]amino]pentanamide.

Molecular Properties

Compound Name5-[[3,5-difluoro-6-(propylamino)-2-pyridinyl]amino]pentanamide
PubChem CID106241585
Molecular FormulaC13H20F2N4O
Molecular Weight286.33 g/mol
Exact Mass286.16
IUPAC Name5-[[3,5-difluoro-6-(propylamino)-2-pyridinyl]amino]pentanamide
SMILESCCCNc1nc(NCCCCC(N)=O)c(F)cc1F
InChIInChI=1S/C13H20F2N4O/c1-2-6-17-12-9(14)8-10(15)13(19-12)18-7-4-3-5-11(16)20/h8H,2-7H2,1H3,(H2,16,20)(H2,17,18,19)
InChIKeyQFLMPVCNBKMSDF-UHFFFAOYSA-N
XLogP2.25
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[[6-(ethylamino)-3,5-difluoro-2-pyridinyl]amino]pentanamide
CID 106241605
2-[[3,5-difluoro-6-(propylamino)-2-pyridinyl]amino]acetamide
CID 114074035
5-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]pentanamide
CID 106241607
3,5-difluoro-6-N-octylpyridine-2,6-diamine
CID 114074590
4-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]butanamide
CID 80790862
5-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]pentanamide
CID 106241671
5-[(5-fluoro-6-methylpyrimidin-4-yl)amino]pentanamide
CID 106238678
5-[[3,5-difluoro-6-(propylamino)-2-pyridinyl]amino]-4,4-dimethylpentan-1-ol
CID 106150078
N-(5-amino-5-oxopentyl)-5-chloro-6-(propylamino)pyridine-3-carboxamide
CID 106241047
5-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]pentanamide
CID 114162867
3,5-difluoro-2-N-propyl-6-N-(2,2,3,3-tetrafluoropropyl)pyridine-2,6-diamine
CID 106296104
5-[(4-amino-1-methylpyrazol-3-yl)amino]pentanamide
CID 106234066

Frequently Asked Questions

What is the IUPAC name of 5-[[3,5-difluoro-6-(propylamino)-2-pyridinyl]amino]pentanamide?
The IUPAC name of 5-[[3,5-difluoro-6-(propylamino)-2-pyridinyl]amino]pentanamide (CID 106241585) is 5-[[3,5-difluoro-6-(propylamino)-2-pyridinyl]amino]pentanamide.
What is the SMILES notation for 5-[[3,5-difluoro-6-(propylamino)-2-pyridinyl]amino]pentanamide?
The canonical SMILES for 5-[[3,5-difluoro-6-(propylamino)-2-pyridinyl]amino]pentanamide is CCCNc1nc(NCCCCC(N)=O)c(F)cc1F.
What is the InChIKey of 5-[[3,5-difluoro-6-(propylamino)-2-pyridinyl]amino]pentanamide?
The InChIKey is QFLMPVCNBKMSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2N4O/c1-2-6-17-12-9(14)8-10(15)13(19-12)18-7-4-3-5-11(16)20/h8H,2-7H2,1H3,(H2,16,20)(H2,17,18,19).
What are the key properties of 5-[[3,5-difluoro-6-(propylamino)-2-pyridinyl]amino]pentanamide?
5-[[3,5-difluoro-6-(propylamino)-2-pyridinyl]amino]pentanamide has a molecular weight of 286.33 g/mol, XLogP of 2.25, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3,5-difluoro-6-(propylamino)-2-pyridinyl]amino]pentanamide is sourced from PubChem (CID 106241585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).