N-[2-(diethylamino)-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide

C17H18F3N3O — CID 23149648

IUPACN-[2-(diethylamino)-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
SMILESCCN(CC)c1ccc(C(F)(F)F)cc1NC(=O)c1ccncc1
InChIInChI=1S/C17H18F3N3O/c1-3-23(4-2)15-6-5-13(17(18,19)20)11-14(15)22-16(24)12-7-9-21-10-8-12/h5-11H,3-4H2,1-2H3,(H,22,24)
InChIKeyREKVYFXVOYYKNU-UHFFFAOYSA-N
MW337.35 g/mol
LogP4.20
Rot. Bonds5

About N-[2-(diethylamino)-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide

N-[2-(diethylamino)-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide (PubChem CID 23149648) has the molecular formula C17H18F3N3O and a molecular weight of 337.35 g/mol. Its IUPAC name is N-[2-(diethylamino)-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
PubChem CID23149648
Molecular FormulaC17H18F3N3O
Molecular Weight337.35 g/mol
Exact Mass337.14
IUPAC NameN-[2-(diethylamino)-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
SMILESCCN(CC)c1ccc(C(F)(F)F)cc1NC(=O)c1ccncc1
InChIInChI=1S/C17H18F3N3O/c1-3-23(4-2)15-6-5-13(17(18,19)20)11-14(15)22-16(24)12-7-9-21-10-8-12/h5-11H,3-4H2,1-2H3,(H,22,24)
InChIKeyREKVYFXVOYYKNU-UHFFFAOYSA-N
XLogP4.20
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[ethyl(propyl)amino]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide
CID 142550208
N-[2-sulfanyl-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 162551404
N-[2-methyl-4-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 58919756
N-[2-bromo-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 23149635
N-[2-hydroxy-3-methyl-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 70806875
N-[7-(diethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]-4-(trifluoromethyl)benzamide
CID 50792140
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(diethylamino)pyridine-4-carboxamide
CID 109174779
N-[2-(diethylamino)-5-(trifluoromethyl)phenyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 25414352
N-[2-chloro-5-(trifluoromethyl)phenyl]-5-(diethylamino)pyridine-3-carboxamide
CID 109238959
1-benzyl-N-[2-(diethylamino)-5-(trifluoromethyl)phenyl]-6-oxopyridazine-3-carboxamide
CID 30997583
dichloromethane;N-[2-(diethylamino)-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide;N,N-diethylethanamine;N,N-diethyl-2-nitro-4-(trifluoromethyl)aniline;1-N,1-N-diethyl-4-(trifluoromethyl)benzene-1,2-diamine;N-ethylethanamine;1-fluoro-2-nitro-4-(trifluoromethyl)benzene;methanol;pyridine-4-carbonyl chloride;hydrochloride
CID 159630160
N-[3-chloro-2-hydroxy-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 66879857

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[2-(diethylamino)-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide (CID 23149648) is N-[2-(diethylamino)-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[2-(diethylamino)-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide is CCN(CC)c1ccc(C(F)(F)F)cc1NC(=O)c1ccncc1.
What is the InChIKey of N-[2-(diethylamino)-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide?
The InChIKey is REKVYFXVOYYKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O/c1-3-23(4-2)15-6-5-13(17(18,19)20)11-14(15)22-16(24)12-7-9-21-10-8-12/h5-11H,3-4H2,1-2H3,(H,22,24).
What are the key properties of N-[2-(diethylamino)-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide?
N-[2-(diethylamino)-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide has a molecular weight of 337.35 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 23149648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).