5-[2-(dimethylamino)ethylamino]-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide

C16H17F3N4O — CID 109229444

IUPAC5-[2-(dimethylamino)ethylamino]-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide
SMILESCN(C)CCNc1cncc(C(=O)Nc2ccc(F)c(F)c2F)c1
InChIInChI=1S/C16H17F3N4O/c1-23(2)6-5-21-11-7-10(8-20-9-11)16(24)22-13-4-3-12(17)14(18)15(13)19/h3-4,7-9,21H,5-6H2,1-2H3,(H,22,24)
InChIKeyUFARBNMOYWAFQA-UHFFFAOYSA-N
MW338.33 g/mol
LogP2.72
Rot. Bonds6

About 5-[2-(dimethylamino)ethylamino]-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide

5-[2-(dimethylamino)ethylamino]-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide (PubChem CID 109229444) has the molecular formula C16H17F3N4O and a molecular weight of 338.33 g/mol. Its IUPAC name is 5-[2-(dimethylamino)ethylamino]-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[2-(dimethylamino)ethylamino]-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide
PubChem CID109229444
Molecular FormulaC16H17F3N4O
Molecular Weight338.33 g/mol
Exact Mass338.14
IUPAC Name5-[2-(dimethylamino)ethylamino]-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide
SMILESCN(C)CCNc1cncc(C(=O)Nc2ccc(F)c(F)c2F)c1
InChIInChI=1S/C16H17F3N4O/c1-23(2)6-5-21-11-7-10(8-20-9-11)16(24)22-13-4-3-12(17)14(18)15(13)19/h3-4,7-9,21H,5-6H2,1-2H3,(H,22,24)
InChIKeyUFARBNMOYWAFQA-UHFFFAOYSA-N
XLogP2.72
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(2,6-difluorophenyl)-5-[2-(dimethylamino)ethylamino]pyridine-3-carboxamide
CID 109229445
N-(2,3-dichlorophenyl)-5-[2-(dimethylamino)ethylamino]pyridine-3-carboxamide
CID 109229435
5-(4-methylanilino)-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide
CID 109242185
3-N-propyl-5-N-(2,3,4-trifluorophenyl)pyridine-3,5-dicarboxamide
CID 109101322
5-[2-(dimethylamino)ethylamino]-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109229386
5-(2-methylanilino)-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide
CID 109241821
N-(3-chloro-4-fluorophenyl)-5-[3-(dimethylamino)propylamino]pyridine-3-carboxamide
CID 109229991
N-(1,3-benzodioxol-5-yl)-5-[2-(dimethylamino)ethylamino]pyridine-3-carboxamide
CID 109229419
N-(2,4-difluorophenyl)-5-(2,3,4-trifluoroanilino)pyridine-3-carboxamide
CID 109246256
5-(2,4-difluoroanilino)-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide
CID 109229244
N-(2-methylphenyl)-5-(2,3,4-trifluoroanilino)pyridine-3-carboxamide
CID 109241729
1-N-[3-(dimethylamino)propyl]-4-N-(2,3,4-trifluorophenyl)benzene-1,4-dicarboxamide
CID 109046073

Frequently Asked Questions

What is the IUPAC name of 5-[2-(dimethylamino)ethylamino]-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide?
The IUPAC name of 5-[2-(dimethylamino)ethylamino]-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide (CID 109229444) is 5-[2-(dimethylamino)ethylamino]-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-[2-(dimethylamino)ethylamino]-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-[2-(dimethylamino)ethylamino]-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide is CN(C)CCNc1cncc(C(=O)Nc2ccc(F)c(F)c2F)c1.
What is the InChIKey of 5-[2-(dimethylamino)ethylamino]-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide?
The InChIKey is UFARBNMOYWAFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O/c1-23(2)6-5-21-11-7-10(8-20-9-11)16(24)22-13-4-3-12(17)14(18)15(13)19/h3-4,7-9,21H,5-6H2,1-2H3,(H,22,24).
What are the key properties of 5-[2-(dimethylamino)ethylamino]-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide?
5-[2-(dimethylamino)ethylamino]-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide has a molecular weight of 338.33 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(dimethylamino)ethylamino]-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109229444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).