N,2-dimethyl-3-[methyl-[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]propanamide

C13H19F3N4O — CID 106918708

IUPACN,2-dimethyl-3-[methyl-[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]propanamide
SMILESCNC(=O)C(C)CN(C)c1cc(C(F)(F)F)cc(NC)n1
InChIInChI=1S/C13H19F3N4O/c1-8(12(21)18-3)7-20(4)11-6-9(13(14,15)16)5-10(17-2)19-11/h5-6,8H,7H2,1-4H3,(H,17,19)(H,18,21)
InChIKeyNAGDVMPAAVJCFA-UHFFFAOYSA-N
MW304.32 g/mol
LogP1.96
Rot. Bonds5

About N,2-dimethyl-3-[methyl-[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]propanamide

N,2-dimethyl-3-[methyl-[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]propanamide (PubChem CID 106918708) has the molecular formula C13H19F3N4O and a molecular weight of 304.32 g/mol. Its IUPAC name is N,2-dimethyl-3-[methyl-[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]propanamide.

Molecular Properties

Compound NameN,2-dimethyl-3-[methyl-[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]propanamide
PubChem CID106918708
Molecular FormulaC13H19F3N4O
Molecular Weight304.32 g/mol
Exact Mass304.15
IUPAC NameN,2-dimethyl-3-[methyl-[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]propanamide
SMILESCNC(=O)C(C)CN(C)c1cc(C(F)(F)F)cc(NC)n1
InChIInChI=1S/C13H19F3N4O/c1-8(12(21)18-3)7-20(4)11-6-9(13(14,15)16)5-10(17-2)19-11/h5-6,8H,7H2,1-4H3,(H,17,19)(H,18,21)
InChIKeyNAGDVMPAAVJCFA-UHFFFAOYSA-N
XLogP1.96
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,2-dimethyl-3-[methyl-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide
CID 106918664
4-[methyl-[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]butan-2-ol
CID 102719371
N,2-dimethyl-3-[methyl-[6-(methylamino)pyrazin-2-yl]amino]propanamide
CID 106918612
3-[[2-(ethoxymethyl)-6-(methylamino)pyrimidin-4-yl]-methylamino]-N,2-dimethylpropanamide
CID 106918706
1-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]-methylamino]propan-2-ol
CID 102720682
2-N-methyl-6-N-(2-methylpropyl)-6-N-propan-2-yl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718063
6-hydrazinyl-N-methyl-N-(2-methylpropyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102720431
2-methyl-2-[methyl-[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol
CID 102719263
3-[(6-hydrazinyl-2-methylpyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide
CID 106918798
2-[ethyl-[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]-N,N-dimethylacetamide
CID 102717832
3-[(6-hydrazinyl-4-nitro-2-pyridinyl)-methylamino]-N,2-dimethylpropanamide
CID 114071562
6-N-[1-(dimethylamino)propan-2-yl]-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102719072

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-3-[methyl-[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]propanamide?
The IUPAC name of N,2-dimethyl-3-[methyl-[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]propanamide (CID 106918708) is N,2-dimethyl-3-[methyl-[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]propanamide.
What is the SMILES notation for N,2-dimethyl-3-[methyl-[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]propanamide?
The canonical SMILES for N,2-dimethyl-3-[methyl-[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]propanamide is CNC(=O)C(C)CN(C)c1cc(C(F)(F)F)cc(NC)n1.
What is the InChIKey of N,2-dimethyl-3-[methyl-[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]propanamide?
The InChIKey is NAGDVMPAAVJCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4O/c1-8(12(21)18-3)7-20(4)11-6-9(13(14,15)16)5-10(17-2)19-11/h5-6,8H,7H2,1-4H3,(H,17,19)(H,18,21).
What are the key properties of N,2-dimethyl-3-[methyl-[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]propanamide?
N,2-dimethyl-3-[methyl-[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]propanamide has a molecular weight of 304.32 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-3-[methyl-[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]propanamide is sourced from PubChem (CID 106918708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).