N-ethyl-2-(ethylamino)-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide

C12H16F3N3O — CID 62181870

IUPACN-ethyl-2-(ethylamino)-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
SMILESCCNc1cc(C(=O)N(CC)CC(F)(F)F)ccn1
InChIInChI=1S/C12H16F3N3O/c1-3-16-10-7-9(5-6-17-10)11(19)18(4-2)8-12(13,14)15/h5-7H,3-4,8H2,1-2H3,(H,16,17)
InChIKeyQFXMKHGTWIXMSS-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.54
Rot. Bonds5

About N-ethyl-2-(ethylamino)-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide

N-ethyl-2-(ethylamino)-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide (PubChem CID 62181870) has the molecular formula C12H16F3N3O and a molecular weight of 275.27 g/mol. Its IUPAC name is N-ethyl-2-(ethylamino)-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-(ethylamino)-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
PubChem CID62181870
Molecular FormulaC12H16F3N3O
Molecular Weight275.27 g/mol
Exact Mass275.12
IUPAC NameN-ethyl-2-(ethylamino)-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
SMILESCCNc1cc(C(=O)N(CC)CC(F)(F)F)ccn1
InChIInChI=1S/C12H16F3N3O/c1-3-16-10-7-9(5-6-17-10)11(19)18(4-2)8-12(13,14)15/h5-7H,3-4,8H2,1-2H3,(H,16,17)
InChIKeyQFXMKHGTWIXMSS-UHFFFAOYSA-N
XLogP2.54
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-2-(ethylamino)pyridine-4-carboxamide
CID 62172696
N-ethyl-2-(ethylamino)-N-(2-methylpropyl)pyridine-4-carboxamide
CID 55042857
2-(ethylamino)-N,N-dipropylpyridine-4-carboxamide
CID 62167745
2-(ethylamino)-N-(5,5,5-trifluoropentyl)pyridine-4-carboxamide
CID 115492102
N-ethyl-6-(ethylamino)-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide
CID 62179220
N-[2-(dimethylamino)-2-methylpropyl]-2-(ethylamino)pyridine-4-carboxamide
CID 62177284
2-(ethylamino)-N-methyl-N-(4-methylsulfanylbutan-2-yl)pyridine-4-carboxamide
CID 115683356
2-(methylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 62179572
2-(ethylamino)-N-(3-hydroxybutyl)-N-methylpyridine-4-carboxamide
CID 115704020
3-chloro-N-ethyl-6-(ethylamino)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 62179575
N-benzyl-N-ethyl-2-(propylamino)pyridine-4-carboxamide
CID 109165092
N,N-diethyl-2-[2-(4-methoxyphenoxy)ethylamino]pyridine-4-carboxamide
CID 109174710

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(ethylamino)-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide?
The IUPAC name of N-ethyl-2-(ethylamino)-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide (CID 62181870) is N-ethyl-2-(ethylamino)-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide.
What is the SMILES notation for N-ethyl-2-(ethylamino)-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide?
The canonical SMILES for N-ethyl-2-(ethylamino)-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide is CCNc1cc(C(=O)N(CC)CC(F)(F)F)ccn1.
What is the InChIKey of N-ethyl-2-(ethylamino)-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide?
The InChIKey is QFXMKHGTWIXMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O/c1-3-16-10-7-9(5-6-17-10)11(19)18(4-2)8-12(13,14)15/h5-7H,3-4,8H2,1-2H3,(H,16,17).
What are the key properties of N-ethyl-2-(ethylamino)-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide?
N-ethyl-2-(ethylamino)-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide has a molecular weight of 275.27 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(ethylamino)-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide is sourced from PubChem (CID 62181870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).