N-ethyl-N-prop-2-ynyl-6-(trifluoromethyl)pyridine-3-carboxamide

C12H11F3N2O — CID 78970661

IUPACN-ethyl-N-prop-2-ynyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESC#CCN(CC)C(=O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C12H11F3N2O/c1-3-7-17(4-2)11(18)9-5-6-10(16-8-9)12(13,14)15/h1,5-6,8H,4,7H2,2H3
InChIKeySGMNIZQAZILHAX-UHFFFAOYSA-N
MW256.23 g/mol
LogP2.20
Rot. Bonds3

About N-ethyl-N-prop-2-ynyl-6-(trifluoromethyl)pyridine-3-carboxamide

N-ethyl-N-prop-2-ynyl-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 78970661) has the molecular formula C12H11F3N2O and a molecular weight of 256.23 g/mol. Its IUPAC name is N-ethyl-N-prop-2-ynyl-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-prop-2-ynyl-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID78970661
Molecular FormulaC12H11F3N2O
Molecular Weight256.23 g/mol
Exact Mass256.08
IUPAC NameN-ethyl-N-prop-2-ynyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESC#CCN(CC)C(=O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C12H11F3N2O/c1-3-7-17(4-2)11(18)9-5-6-10(16-8-9)12(13,14)15/h1,5-6,8H,4,7H2,2H3
InChIKeySGMNIZQAZILHAX-UHFFFAOYSA-N
XLogP2.20
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-[2-[methyl-[6-(trifluoromethyl)pyridine-3-carbonyl]amino]ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 112843302
N-butyl-N-(2,2,2-trifluoroethyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 78884593
3,4-diethoxy-N-ethyl-N-prop-2-ynylbenzamide
CID 78970389
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 43044788
5,6-dichloro-N-ethyl-N-prop-2-ynylpyridine-3-carboxamide
CID 78970727
N-ethyl-N-prop-2-ynylthiophene-3-carboxamide
CID 78970586
N-ethyl-N-prop-2-ynyl-1H-pyrazole-4-carboxamide
CID 78975317
bis[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 87948655
3-chloro-N-ethyl-4-fluoro-N-prop-2-ynylbenzamide
CID 81435072
N-ethyl-1-methyl-N-prop-2-ynylpyrazole-4-carboxamide
CID 78970434
N-ethyl-5-hydroxy-N-prop-2-ynylpyridine-3-carboxamide
CID 79725826
butyl 6-(trifluoromethyl)pyridine-3-carboxylate
CID 112725076

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-prop-2-ynyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-ethyl-N-prop-2-ynyl-6-(trifluoromethyl)pyridine-3-carboxamide (CID 78970661) is N-ethyl-N-prop-2-ynyl-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-ethyl-N-prop-2-ynyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-ethyl-N-prop-2-ynyl-6-(trifluoromethyl)pyridine-3-carboxamide is C#CCN(CC)C(=O)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of N-ethyl-N-prop-2-ynyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is SGMNIZQAZILHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O/c1-3-7-17(4-2)11(18)9-5-6-10(16-8-9)12(13,14)15/h1,5-6,8H,4,7H2,2H3.
What are the key properties of N-ethyl-N-prop-2-ynyl-6-(trifluoromethyl)pyridine-3-carboxamide?
N-ethyl-N-prop-2-ynyl-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 256.23 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-prop-2-ynyl-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 78970661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).