N-[2-(dimethylamino)ethyl]-2-[2-(trifluoromethyl)anilino]pyridine-4-carboxamide

C17H19F3N4O — CID 109167733

IUPACN-[2-(dimethylamino)ethyl]-2-[2-(trifluoromethyl)anilino]pyridine-4-carboxamide
SMILESCN(C)CCNC(=O)c1ccnc(Nc2ccccc2C(F)(F)F)c1
InChIInChI=1S/C17H19F3N4O/c1-24(2)10-9-22-16(25)12-7-8-21-15(11-12)23-14-6-4-3-5-13(14)17(18,19)20/h3-8,11H,9-10H2,1-2H3,(H,21,23)(H,22,25)
InChIKeyZGCDVFGZHACNKO-UHFFFAOYSA-N
MW352.36 g/mol
LogP3.14
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-2-[2-(trifluoromethyl)anilino]pyridine-4-carboxamide

N-[2-(dimethylamino)ethyl]-2-[2-(trifluoromethyl)anilino]pyridine-4-carboxamide (PubChem CID 109167733) has the molecular formula C17H19F3N4O and a molecular weight of 352.36 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-[2-(trifluoromethyl)anilino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-[2-(trifluoromethyl)anilino]pyridine-4-carboxamide
PubChem CID109167733
Molecular FormulaC17H19F3N4O
Molecular Weight352.36 g/mol
Exact Mass352.15
IUPAC NameN-[2-(dimethylamino)ethyl]-2-[2-(trifluoromethyl)anilino]pyridine-4-carboxamide
SMILESCN(C)CCNC(=O)c1ccnc(Nc2ccccc2C(F)(F)F)c1
InChIInChI=1S/C17H19F3N4O/c1-24(2)10-9-22-16(25)12-7-8-21-15(11-12)23-14-6-4-3-5-13(14)17(18,19)20/h3-8,11H,9-10H2,1-2H3,(H,21,23)(H,22,25)
InChIKeyZGCDVFGZHACNKO-UHFFFAOYSA-N
XLogP3.14
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-[2-(dimethylamino)ethyl]-3-N-[2-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
CID 109053233
2-(2,4-dichloroanilino)-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide
CID 109167767
N-[2-(dimethylamino)ethyl]-2-[(2-fluorophenyl)methylamino]pyridine-4-carboxamide
CID 109167657
N-butyl-2-(2-tert-butylanilino)pyridine-4-carboxamide
CID 109165472
N-[3-(dimethylamino)propyl]-2-[3-(trifluoromethyl)anilino]pyridine-4-carboxamide
CID 109168255
N-[2-(dimethylamino)ethyl]-2-[(2-methylphenyl)methylamino]pyridine-4-carboxamide
CID 109167652
2-(3,4-dichloroanilino)-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide
CID 109167766
N-(3-fluorophenyl)-2-[2-(trifluoromethyl)anilino]pyridine-4-carboxamide
CID 109178420
N-[2-(dimethylamino)ethyl]-2-fluoropyridine-4-carboxamide
CID 61294521
N-[2-(dimethylamino)ethyl]-4-(methylamino)-3-(trifluoromethyl)benzamide
CID 62171664
2-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyridine-4-carboxamide
CID 109167778
4-(2-tert-butylanilino)-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide
CID 109207180

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-[2-(trifluoromethyl)anilino]pyridine-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-[2-(trifluoromethyl)anilino]pyridine-4-carboxamide (CID 109167733) is N-[2-(dimethylamino)ethyl]-2-[2-(trifluoromethyl)anilino]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-[2-(trifluoromethyl)anilino]pyridine-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-[2-(trifluoromethyl)anilino]pyridine-4-carboxamide is CN(C)CCNC(=O)c1ccnc(Nc2ccccc2C(F)(F)F)c1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-[2-(trifluoromethyl)anilino]pyridine-4-carboxamide?
The InChIKey is ZGCDVFGZHACNKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N4O/c1-24(2)10-9-22-16(25)12-7-8-21-15(11-12)23-14-6-4-3-5-13(14)17(18,19)20/h3-8,11H,9-10H2,1-2H3,(H,21,23)(H,22,25).
What are the key properties of N-[2-(dimethylamino)ethyl]-2-[2-(trifluoromethyl)anilino]pyridine-4-carboxamide?
N-[2-(dimethylamino)ethyl]-2-[2-(trifluoromethyl)anilino]pyridine-4-carboxamide has a molecular weight of 352.36 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-[2-(trifluoromethyl)anilino]pyridine-4-carboxamide is sourced from PubChem (CID 109167733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).