2-methyl-N-(3-propoxypropyl)-6-(trifluoromethyl)pyridine-3-carboxamide

C14H19F3N2O2 — CID 69437945

IUPAC2-methyl-N-(3-propoxypropyl)-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCCCOCCCNC(=O)c1ccc(C(F)(F)F)nc1C
InChIInChI=1S/C14H19F3N2O2/c1-3-8-21-9-4-7-18-13(20)11-5-6-12(14(15,16)17)19-10(11)2/h5-6H,3-4,7-9H2,1-2H3,(H,18,20)
InChIKeyMAZICKIRGQBMNC-UHFFFAOYSA-N
MW304.31 g/mol
LogP2.96
Rot. Bonds7

About 2-methyl-N-(3-propoxypropyl)-6-(trifluoromethyl)pyridine-3-carboxamide

2-methyl-N-(3-propoxypropyl)-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 69437945) has the molecular formula C14H19F3N2O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is 2-methyl-N-(3-propoxypropyl)-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(3-propoxypropyl)-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID69437945
Molecular FormulaC14H19F3N2O2
Molecular Weight304.31 g/mol
Exact Mass304.14
IUPAC Name2-methyl-N-(3-propoxypropyl)-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCCCOCCCNC(=O)c1ccc(C(F)(F)F)nc1C
InChIInChI=1S/C14H19F3N2O2/c1-3-8-21-9-4-7-18-13(20)11-5-6-12(14(15,16)17)19-10(11)2/h5-6H,3-4,7-9H2,1-2H3,(H,18,20)
InChIKeyMAZICKIRGQBMNC-UHFFFAOYSA-N
XLogP2.96
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminoethyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 119382029
3-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid
CID 119140189
2-methyl-N-(2-methylsulfanylethyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 69438762
N-(3-aminobutyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 119494830
2-fluoro-4-methyl-N-(3-propoxypropyl)benzamide
CID 82941071
2-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 46981446
2,4-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]benzamide
CID 86929041
2-(2-butoxyethylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 79876203
2-(ethylamino)-3-fluoro-N-(3-propoxypropyl)pyridine-4-carboxamide
CID 105387150
2,4-dibromo-N-(3-propoxypropyl)benzamide
CID 114020100
N-cyclohexyl-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 31852499
N-(3-methoxypropyl)-2-[4-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]piperazin-1-yl]acetamide
CID 55581838

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-propoxypropyl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 2-methyl-N-(3-propoxypropyl)-6-(trifluoromethyl)pyridine-3-carboxamide (CID 69437945) is 2-methyl-N-(3-propoxypropyl)-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-methyl-N-(3-propoxypropyl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-methyl-N-(3-propoxypropyl)-6-(trifluoromethyl)pyridine-3-carboxamide is CCCOCCCNC(=O)c1ccc(C(F)(F)F)nc1C.
What is the InChIKey of 2-methyl-N-(3-propoxypropyl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is MAZICKIRGQBMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O2/c1-3-8-21-9-4-7-18-13(20)11-5-6-12(14(15,16)17)19-10(11)2/h5-6H,3-4,7-9H2,1-2H3,(H,18,20).
What are the key properties of 2-methyl-N-(3-propoxypropyl)-6-(trifluoromethyl)pyridine-3-carboxamide?
2-methyl-N-(3-propoxypropyl)-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 304.31 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-propoxypropyl)-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 69437945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).