N-(2,6-diethylphenyl)-N-ethyl-4-(trifluoromethyl)pyridine-3-carboxamide

C19H21F3N2O — CID 2727018

IUPACN-(2,6-diethylphenyl)-N-ethyl-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESCCc1cccc(CC)c1N(CC)C(=O)c1cnccc1C(F)(F)F
InChIInChI=1S/C19H21F3N2O/c1-4-13-8-7-9-14(5-2)17(13)24(6-3)18(25)15-12-23-11-10-16(15)19(20,21)22/h7-12H,4-6H2,1-3H3
InChIKeySVPOWDAIRMVKQN-UHFFFAOYSA-N
MW350.38 g/mol
LogP4.89
Rot. Bonds5

About N-(2,6-diethylphenyl)-N-ethyl-4-(trifluoromethyl)pyridine-3-carboxamide

N-(2,6-diethylphenyl)-N-ethyl-4-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 2727018) has the molecular formula C19H21F3N2O and a molecular weight of 350.38 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-N-ethyl-4-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-N-ethyl-4-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID2727018
Molecular FormulaC19H21F3N2O
Molecular Weight350.38 g/mol
Exact Mass350.16
IUPAC NameN-(2,6-diethylphenyl)-N-ethyl-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESCCc1cccc(CC)c1N(CC)C(=O)c1cnccc1C(F)(F)F
InChIInChI=1S/C19H21F3N2O/c1-4-13-8-7-9-14(5-2)17(13)24(6-3)18(25)15-12-23-11-10-16(15)19(20,21)22/h7-12H,4-6H2,1-3H3
InChIKeySVPOWDAIRMVKQN-UHFFFAOYSA-N
XLogP4.89
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-N-ethyl-4-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-(2,6-diethylphenyl)-N-ethyl-4-(trifluoromethyl)pyridine-3-carboxamide (CID 2727018) is N-(2,6-diethylphenyl)-N-ethyl-4-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(2,6-diethylphenyl)-N-ethyl-4-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-(2,6-diethylphenyl)-N-ethyl-4-(trifluoromethyl)pyridine-3-carboxamide is CCc1cccc(CC)c1N(CC)C(=O)c1cnccc1C(F)(F)F.
What is the InChIKey of N-(2,6-diethylphenyl)-N-ethyl-4-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is SVPOWDAIRMVKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O/c1-4-13-8-7-9-14(5-2)17(13)24(6-3)18(25)15-12-23-11-10-16(15)19(20,21)22/h7-12H,4-6H2,1-3H3.
What are the key properties of N-(2,6-diethylphenyl)-N-ethyl-4-(trifluoromethyl)pyridine-3-carboxamide?
N-(2,6-diethylphenyl)-N-ethyl-4-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 350.38 g/mol, XLogP of 4.89, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-N-ethyl-4-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 2727018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).