N-[(2R)-2-(ethylamino)propyl]-6-(trifluoromethyl)pyridine-3-carboxamide

C12H16F3N3O — CID 120654191

IUPACN-[(2R)-2-(ethylamino)propyl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCCN[C@H](C)CNC(=O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C12H16F3N3O/c1-3-16-8(2)6-18-11(19)9-4-5-10(17-7-9)12(13,14)15/h4-5,7-8,16H,3,6H2,1-2H3,(H,18,19)/t8-/m1/s1
InChIKeyLJYXALNMYBPDSS-MRVPVSSYSA-N
MW275.27 g/mol
LogP1.83
Rot. Bonds5

About N-[(2R)-2-(ethylamino)propyl]-6-(trifluoromethyl)pyridine-3-carboxamide

N-[(2R)-2-(ethylamino)propyl]-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 120654191) has the molecular formula C12H16F3N3O and a molecular weight of 275.27 g/mol. Its IUPAC name is N-[(2R)-2-(ethylamino)propyl]-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(ethylamino)propyl]-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID120654191
Molecular FormulaC12H16F3N3O
Molecular Weight275.27 g/mol
Exact Mass275.12
IUPAC NameN-[(2R)-2-(ethylamino)propyl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCCN[C@H](C)CNC(=O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C12H16F3N3O/c1-3-16-8(2)6-18-11(19)9-4-5-10(17-7-9)12(13,14)15/h4-5,7-8,16H,3,6H2,1-2H3,(H,18,19)/t8-/m1/s1
InChIKeyLJYXALNMYBPDSS-MRVPVSSYSA-N
XLogP1.83
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid
CID 62676946
(2S)-2-hydroxy-3-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid
CID 107833571
N-[2-(2-hydroxyethyl)-4-methylpentyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 111697434
N-[(2R)-1-aminopropan-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 104872787
N-[(2R)-2-(ethylamino)propyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 120652401
N-[(2R)-2-(ethylamino)propyl]-6-[ethyl(propyl)amino]pyridine-3-carboxamide
CID 120652365
N-[(2S,3S)-3-methylpentan-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 94663314
2-ethyl-2-[[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]methyl]butanoic acid
CID 120533315
N-(2-hydroxy-3-phenylpropyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 111102526
N-[2-(diethylamino)-3-phenylpropyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 43067642
6-(trifluoromethyl)pyridine-3-carbohydrazide;dihydrochloride
CID 175168012
4-N-(2,2-dimethylpropyl)-1-N-[(2R)-2-(ethylamino)propyl]benzene-1,4-dicarboxamide;hydrochloride
CID 120651678

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(ethylamino)propyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[(2R)-2-(ethylamino)propyl]-6-(trifluoromethyl)pyridine-3-carboxamide (CID 120654191) is N-[(2R)-2-(ethylamino)propyl]-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(2R)-2-(ethylamino)propyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[(2R)-2-(ethylamino)propyl]-6-(trifluoromethyl)pyridine-3-carboxamide is CCN[C@H](C)CNC(=O)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of N-[(2R)-2-(ethylamino)propyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is LJYXALNMYBPDSS-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H16F3N3O/c1-3-16-8(2)6-18-11(19)9-4-5-10(17-7-9)12(13,14)15/h4-5,7-8,16H,3,6H2,1-2H3,(H,18,19)/t8-/m1/s1.
What are the key properties of N-[(2R)-2-(ethylamino)propyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
N-[(2R)-2-(ethylamino)propyl]-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 275.27 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(ethylamino)propyl]-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 120654191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).