N-[2-(diethylamino)-3-phenylpropyl]-6-(trifluoromethyl)pyridine-3-carboxamide

C20H24F3N3O — CID 43067642

IUPACN-[2-(diethylamino)-3-phenylpropyl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCCN(CC)C(CNC(=O)c1ccc(C(F)(F)F)nc1)Cc1ccccc1
InChIInChI=1S/C20H24F3N3O/c1-3-26(4-2)17(12-15-8-6-5-7-9-15)14-25-19(27)16-10-11-18(24-13-16)20(21,22)23/h5-11,13,17H,3-4,12,14H2,1-2H3,(H,25,27)
InChIKeyQKOFTXRZACZRSI-UHFFFAOYSA-N
MW379.43 g/mol
LogP3.78
Rot. Bonds8

About N-[2-(diethylamino)-3-phenylpropyl]-6-(trifluoromethyl)pyridine-3-carboxamide

N-[2-(diethylamino)-3-phenylpropyl]-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 43067642) has the molecular formula C20H24F3N3O and a molecular weight of 379.43 g/mol. Its IUPAC name is N-[2-(diethylamino)-3-phenylpropyl]-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-3-phenylpropyl]-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID43067642
Molecular FormulaC20H24F3N3O
Molecular Weight379.43 g/mol
Exact Mass379.19
IUPAC NameN-[2-(diethylamino)-3-phenylpropyl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCCN(CC)C(CNC(=O)c1ccc(C(F)(F)F)nc1)Cc1ccccc1
InChIInChI=1S/C20H24F3N3O/c1-3-26(4-2)17(12-15-8-6-5-7-9-15)14-25-19(27)16-10-11-18(24-13-16)20(21,22)23/h5-11,13,17H,3-4,12,14H2,1-2H3,(H,25,27)
InChIKeyQKOFTXRZACZRSI-UHFFFAOYSA-N
XLogP3.78
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.43
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-3-phenylpropyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 111102526
N-[2-(diethylamino)-3-phenylpropyl]-4-methylsulfonylbenzamide
CID 43067489
N-[2-(diethylamino)-3-phenylpropyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 87008828
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-[(2R)-2-(ethylamino)propyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 120654191
3-amino-N-[2-(diethylamino)-3-phenylpropyl]pyrazine-2-carboxamide
CID 43067611
N-[(2R)-2-benzyl-3-hydroxy-2-methylpropyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 124844932
2-amino-N-[2-(diethylamino)-3-phenylpropyl]benzamide
CID 119946555
2-amino-N-[2-(diethylamino)-3-phenylpropyl]-2-methylpropanamide
CID 119849944
2-ethyl-2-[[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]methyl]butanoic acid
CID 120533315
N-[(2R)-2-(diethylamino)-3-phenylpropyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 30902992

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-3-phenylpropyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[2-(diethylamino)-3-phenylpropyl]-6-(trifluoromethyl)pyridine-3-carboxamide (CID 43067642) is N-[2-(diethylamino)-3-phenylpropyl]-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)-3-phenylpropyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[2-(diethylamino)-3-phenylpropyl]-6-(trifluoromethyl)pyridine-3-carboxamide is CCN(CC)C(CNC(=O)c1ccc(C(F)(F)F)nc1)Cc1ccccc1.
What is the InChIKey of N-[2-(diethylamino)-3-phenylpropyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is QKOFTXRZACZRSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N3O/c1-3-26(4-2)17(12-15-8-6-5-7-9-15)14-25-19(27)16-10-11-18(24-13-16)20(21,22)23/h5-11,13,17H,3-4,12,14H2,1-2H3,(H,25,27).
What are the key properties of N-[2-(diethylamino)-3-phenylpropyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
N-[2-(diethylamino)-3-phenylpropyl]-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 379.43 g/mol, XLogP of 3.78, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-3-phenylpropyl]-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 43067642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).