5-[[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]pentanamide

C12H17F3N4O — CID 106241553

IUPAC5-[[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]pentanamide
SMILESCNc1cc(C(F)(F)F)cc(NCCCCC(N)=O)n1
InChIInChI=1S/C12H17F3N4O/c1-17-10-6-8(12(13,14)15)7-11(19-10)18-5-3-2-4-9(16)20/h6-7H,2-5H2,1H3,(H2,16,20)(H2,17,18,19)
InChIKeyKWRQCWMGJZKZDQ-UHFFFAOYSA-N
MW290.29 g/mol
LogP2.21
Rot. Bonds7

About 5-[[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]pentanamide

5-[[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]pentanamide (PubChem CID 106241553) has the molecular formula C12H17F3N4O and a molecular weight of 290.29 g/mol. Its IUPAC name is 5-[[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]pentanamide.

Molecular Properties

Compound Name5-[[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]pentanamide
PubChem CID106241553
Molecular FormulaC12H17F3N4O
Molecular Weight290.29 g/mol
Exact Mass290.14
IUPAC Name5-[[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]pentanamide
SMILESCNc1cc(C(F)(F)F)cc(NCCCCC(N)=O)n1
InChIInChI=1S/C12H17F3N4O/c1-17-10-6-8(12(13,14)15)7-11(19-10)18-5-3-2-4-9(16)20/h6-7H,2-5H2,1H3,(H2,16,20)(H2,17,18,19)
InChIKeyKWRQCWMGJZKZDQ-UHFFFAOYSA-N
XLogP2.21
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 52.21
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-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]pentanamide
CID 106241594
3-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]propanamide
CID 102720469
5-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]pentanamide
CID 106241630
5-[[6-(methylamino)-2-pyridinyl]amino]pentanamide
CID 106241556
1,1-dimethyl-3-[2-[[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]ethyl]urea
CID 102719106
N-methyl-2-[[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]ethanesulfonamide
CID 106343111
4-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]butanamide
CID 80791948
5-[[5-(trifluoromethyl)-2-pyridinyl]amino]pentanamide
CID 114162427
2-[[6-(propylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]ethylurea
CID 102719108
N-hexyl-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720771
5-[[6-(propylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol
CID 107324249
6-N-(2-cyclopentylethyl)-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717681

Frequently Asked Questions

What is the IUPAC name of 5-[[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]pentanamide?
The IUPAC name of 5-[[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]pentanamide (CID 106241553) is 5-[[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]pentanamide.
What is the SMILES notation for 5-[[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]pentanamide?
The canonical SMILES for 5-[[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]pentanamide is CNc1cc(C(F)(F)F)cc(NCCCCC(N)=O)n1.
What is the InChIKey of 5-[[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]pentanamide?
The InChIKey is KWRQCWMGJZKZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O/c1-17-10-6-8(12(13,14)15)7-11(19-10)18-5-3-2-4-9(16)20/h6-7H,2-5H2,1H3,(H2,16,20)(H2,17,18,19).
What are the key properties of 5-[[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]pentanamide?
5-[[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]pentanamide has a molecular weight of 290.29 g/mol, XLogP of 2.21, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]pentanamide is sourced from PubChem (CID 106241553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).