N,N-diethyl-4-(2,2,2-trifluoroethylamino)pyridine-2-carboxamide

C12H16F3N3O — CID 43517418

IUPACN,N-diethyl-4-(2,2,2-trifluoroethylamino)pyridine-2-carboxamide
SMILESCCN(CC)C(=O)c1cc(NCC(F)(F)F)ccn1
InChIInChI=1S/C12H16F3N3O/c1-3-18(4-2)11(19)10-7-9(5-6-16-10)17-8-12(13,14)15/h5-7H,3-4,8H2,1-2H3,(H,16,17)
InChIKeyDPYYCLHQXZPFGP-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.54
Rot. Bonds5

About N,N-diethyl-4-(2,2,2-trifluoroethylamino)pyridine-2-carboxamide

N,N-diethyl-4-(2,2,2-trifluoroethylamino)pyridine-2-carboxamide (PubChem CID 43517418) has the molecular formula C12H16F3N3O and a molecular weight of 275.27 g/mol. Its IUPAC name is N,N-diethyl-4-(2,2,2-trifluoroethylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-4-(2,2,2-trifluoroethylamino)pyridine-2-carboxamide
PubChem CID43517418
Molecular FormulaC12H16F3N3O
Molecular Weight275.27 g/mol
Exact Mass275.12
IUPAC NameN,N-diethyl-4-(2,2,2-trifluoroethylamino)pyridine-2-carboxamide
SMILESCCN(CC)C(=O)c1cc(NCC(F)(F)F)ccn1
InChIInChI=1S/C12H16F3N3O/c1-3-18(4-2)11(19)10-7-9(5-6-16-10)17-8-12(13,14)15/h5-7H,3-4,8H2,1-2H3,(H,16,17)
InChIKeyDPYYCLHQXZPFGP-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

4-[(3-amino-2,2-difluoropropyl)amino]-N,N-diethylpyridine-2-carboxamide
CID 114384362
N,N-diethyl-4-(propylamino)pyridine-2-carboxamide
CID 43395263
N,N-diethyl-4-[(2-hydroxy-2-methylpentyl)amino]pyridine-2-carboxamide
CID 106290832
N-ethyl-N-(2-hydroxy-2-methylpropyl)-4-(propylamino)pyridine-2-carboxamide
CID 79386430
N,N-diethyl-4-(2-methylbutylamino)pyridine-2-carboxamide
CID 62693747
N,N-diethyl-4-(pent-4-ynylamino)pyridine-2-carboxamide
CID 106222471
4-(ethylamino)-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 62180104
4-(2,3-dihydroxypropylamino)-N,N-diethylpyridine-2-carboxamide
CID 66175860
4-(ethylamino)-N-methyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 62180747
4-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 62172967
2-[[[2-(diethylcarbamoyl)-4-pyridinyl]amino]methyl]butanoic acid
CID 65226330
N,N-diethyl-4-[[2-methyl-3-(methylamino)propyl]amino]pyridine-2-carboxamide
CID 115303183

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-(2,2,2-trifluoroethylamino)pyridine-2-carboxamide?
The IUPAC name of N,N-diethyl-4-(2,2,2-trifluoroethylamino)pyridine-2-carboxamide (CID 43517418) is N,N-diethyl-4-(2,2,2-trifluoroethylamino)pyridine-2-carboxamide.
What is the SMILES notation for N,N-diethyl-4-(2,2,2-trifluoroethylamino)pyridine-2-carboxamide?
The canonical SMILES for N,N-diethyl-4-(2,2,2-trifluoroethylamino)pyridine-2-carboxamide is CCN(CC)C(=O)c1cc(NCC(F)(F)F)ccn1.
What is the InChIKey of N,N-diethyl-4-(2,2,2-trifluoroethylamino)pyridine-2-carboxamide?
The InChIKey is DPYYCLHQXZPFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O/c1-3-18(4-2)11(19)10-7-9(5-6-16-10)17-8-12(13,14)15/h5-7H,3-4,8H2,1-2H3,(H,16,17).
What are the key properties of N,N-diethyl-4-(2,2,2-trifluoroethylamino)pyridine-2-carboxamide?
N,N-diethyl-4-(2,2,2-trifluoroethylamino)pyridine-2-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,N-diethyl-4-(2,2,2-trifluoroethylamino)pyridine-2-carboxamide is sourced from PubChem (CID 43517418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).