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

C12H18F2N4O — CID 106241605

IUPAC5-[[6-(ethylamino)-3,5-difluoro-2-pyridinyl]amino]pentanamide
SMILESCCNc1nc(NCCCCC(N)=O)c(F)cc1F
InChIInChI=1S/C12H18F2N4O/c1-2-16-11-8(13)7-9(14)12(18-11)17-6-4-3-5-10(15)19/h7H,2-6H2,1H3,(H2,15,19)(H2,16,17,18)
InChIKeySUEVYQKMWGSVMP-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.86
Rot. Bonds8

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

5-[[6-(ethylamino)-3,5-difluoro-2-pyridinyl]amino]pentanamide (PubChem CID 106241605) has the molecular formula C12H18F2N4O and a molecular weight of 272.30 g/mol. Its IUPAC name is 5-[[6-(ethylamino)-3,5-difluoro-2-pyridinyl]amino]pentanamide.

Molecular Properties

Compound Name5-[[6-(ethylamino)-3,5-difluoro-2-pyridinyl]amino]pentanamide
PubChem CID106241605
Molecular FormulaC12H18F2N4O
Molecular Weight272.30 g/mol
Exact Mass272.14
IUPAC Name5-[[6-(ethylamino)-3,5-difluoro-2-pyridinyl]amino]pentanamide
SMILESCCNc1nc(NCCCCC(N)=O)c(F)cc1F
InChIInChI=1S/C12H18F2N4O/c1-2-16-11-8(13)7-9(14)12(18-11)17-6-4-3-5-10(15)19/h7H,2-6H2,1H3,(H2,15,19)(H2,16,17,18)
InChIKeySUEVYQKMWGSVMP-UHFFFAOYSA-N
XLogP1.86
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.86
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-[[3,5-difluoro-6-(propylamino)-2-pyridinyl]amino]pentanamide
CID 106241585
2-[[3,5-difluoro-6-(propylamino)-2-pyridinyl]amino]acetamide
CID 114074035
5-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]pentanamide
CID 114162867
5-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]amino]pentanamide
CID 114162870
5-[(5-fluoro-6-methylpyrimidin-4-yl)amino]pentanamide
CID 106238678
3,5-difluoro-6-N-octylpyridine-2,6-diamine
CID 114074590
5-[[2-(ethylamino)quinazolin-4-yl]amino]pentanamide
CID 106241710
5-[(4-amino-1-methylpyrazol-3-yl)amino]pentanamide
CID 106234066
5-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]pentanamide
CID 106241607
4-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]butanamide
CID 80933799
5-[(3-cyano-6-methyl-2-pyridinyl)amino]pentanamide
CID 106236909
3-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]propanamide
CID 80787743

Frequently Asked Questions

What is the IUPAC name of 5-[[6-(ethylamino)-3,5-difluoro-2-pyridinyl]amino]pentanamide?
The IUPAC name of 5-[[6-(ethylamino)-3,5-difluoro-2-pyridinyl]amino]pentanamide (CID 106241605) is 5-[[6-(ethylamino)-3,5-difluoro-2-pyridinyl]amino]pentanamide.
What is the SMILES notation for 5-[[6-(ethylamino)-3,5-difluoro-2-pyridinyl]amino]pentanamide?
The canonical SMILES for 5-[[6-(ethylamino)-3,5-difluoro-2-pyridinyl]amino]pentanamide is CCNc1nc(NCCCCC(N)=O)c(F)cc1F.
What is the InChIKey of 5-[[6-(ethylamino)-3,5-difluoro-2-pyridinyl]amino]pentanamide?
The InChIKey is SUEVYQKMWGSVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N4O/c1-2-16-11-8(13)7-9(14)12(18-11)17-6-4-3-5-10(15)19/h7H,2-6H2,1H3,(H2,15,19)(H2,16,17,18).
What are the key properties of 5-[[6-(ethylamino)-3,5-difluoro-2-pyridinyl]amino]pentanamide?
5-[[6-(ethylamino)-3,5-difluoro-2-pyridinyl]amino]pentanamide has a molecular weight of 272.30 g/mol, XLogP of 1.86, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-(ethylamino)-3,5-difluoro-2-pyridinyl]amino]pentanamide is sourced from PubChem (CID 106241605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).