N-ethyl-6-methyl-4-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide

C12H16F3N3O — CID 81243054

IUPACN-ethyl-6-methyl-4-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
SMILESCCN(CC(F)(F)F)C(=O)c1cnc(C)cc1NC
InChIInChI=1S/C12H16F3N3O/c1-4-18(7-12(13,14)15)11(19)9-6-17-8(2)5-10(9)16-3/h5-6H,4,7H2,1-3H3,(H,16,17)
InChIKeyVFTAQNAEHPRTRO-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.46
Rot. Bonds4

About N-ethyl-6-methyl-4-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide

N-ethyl-6-methyl-4-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide (PubChem CID 81243054) has the molecular formula C12H16F3N3O and a molecular weight of 275.27 g/mol. Its IUPAC name is N-ethyl-6-methyl-4-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-6-methyl-4-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
PubChem CID81243054
Molecular FormulaC12H16F3N3O
Molecular Weight275.27 g/mol
Exact Mass275.12
IUPAC NameN-ethyl-6-methyl-4-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
SMILESCCN(CC(F)(F)F)C(=O)c1cnc(C)cc1NC
InChIInChI=1S/C12H16F3N3O/c1-4-18(7-12(13,14)15)11(19)9-6-17-8(2)5-10(9)16-3/h5-6H,4,7H2,1-3H3,(H,16,17)
InChIKeyVFTAQNAEHPRTRO-UHFFFAOYSA-N
XLogP2.46
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-6-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81236532
N,N-bis(cyanomethyl)-6-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81234794
N,N-bis(2-hydroxyethyl)-6-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81243339
N-ethyl-3-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 105068933
N-butyl-N-(2-hydroxyethyl)-6-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81243352
4-chloro-6-methyl-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 81226727
N-ethyl-3-methyl-4-(methylamino)-N-(2,2,2-trifluoroethyl)benzamide
CID 63213833
5-amino-N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 55006975
N-[3-(diethylamino)propyl]-6-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81235857
4-amino-N-(2-hydroxyethyl)-6-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 107486111
N-cyclopropyl-4-hydrazinyl-6-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 81255905
N-ethyl-6-methyl-4-(methylamino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 81237902

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-methyl-4-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The IUPAC name of N-ethyl-6-methyl-4-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide (CID 81243054) is N-ethyl-6-methyl-4-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-ethyl-6-methyl-4-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The canonical SMILES for N-ethyl-6-methyl-4-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide is CCN(CC(F)(F)F)C(=O)c1cnc(C)cc1NC.
What is the InChIKey of N-ethyl-6-methyl-4-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The InChIKey is VFTAQNAEHPRTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O/c1-4-18(7-12(13,14)15)11(19)9-6-17-8(2)5-10(9)16-3/h5-6H,4,7H2,1-3H3,(H,16,17).
What are the key properties of N-ethyl-6-methyl-4-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
N-ethyl-6-methyl-4-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide has a molecular weight of 275.27 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-methyl-4-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide is sourced from PubChem (CID 81243054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).