N-[2-(2,3,4-trifluorophenyl)ethyl]pyridine-2-carboxamide

C14H11F3N2O — CID 110481973

IUPACN-[2-(2,3,4-trifluorophenyl)ethyl]pyridine-2-carboxamide
SMILESO=C(NCCc1ccc(F)c(F)c1F)c1ccccn1
InChIInChI=1S/C14H11F3N2O/c15-10-5-4-9(12(16)13(10)17)6-8-19-14(20)11-3-1-2-7-18-11/h1-5,7H,6,8H2,(H,19,20)
InChIKeyPONRBWJUESDTFO-UHFFFAOYSA-N
MW280.25 g/mol
LogP2.47
Rot. Bonds4

About N-[2-(2,3,4-trifluorophenyl)ethyl]pyridine-2-carboxamide

N-[2-(2,3,4-trifluorophenyl)ethyl]pyridine-2-carboxamide (PubChem CID 110481973) has the molecular formula C14H11F3N2O and a molecular weight of 280.25 g/mol. Its IUPAC name is N-[2-(2,3,4-trifluorophenyl)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2,3,4-trifluorophenyl)ethyl]pyridine-2-carboxamide
PubChem CID110481973
Molecular FormulaC14H11F3N2O
Molecular Weight280.25 g/mol
Exact Mass280.08
IUPAC NameN-[2-(2,3,4-trifluorophenyl)ethyl]pyridine-2-carboxamide
SMILESO=C(NCCc1ccc(F)c(F)c1F)c1ccccn1
InChIInChI=1S/C14H11F3N2O/c15-10-5-4-9(12(16)13(10)17)6-8-19-14(20)11-3-1-2-7-18-11/h1-5,7H,6,8H2,(H,19,20)
InChIKeyPONRBWJUESDTFO-UHFFFAOYSA-N
XLogP2.47
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-hydroxyphenyl)ethyl]pyridine-2-carboxamide
CID 110672365
1-pyridin-2-yl-3-[2-(2,3,4-trifluorophenyl)ethyl]thiourea
CID 19703878
N-[6-(pyridine-2-carbonylamino)hexyl]pyridine-2-carboxamide;hydrochloride
CID 54601367
N-(2-bromoethyl)pyridine-2-carboxamide
CID 12983473
N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]pyridine-2-carboxamide
CID 110795315
N-(3-pyridin-2-ylpropyl)pyridine-2-carboxamide
CID 110660927
2-ethyl-N-[2-(2,3,4-trifluorophenyl)ethyl]butanamide
CID 110481347
N-[2-(1H-pyrazol-5-yl)ethyl]pyridine-2-carboxamide
CID 110745166
N-[2-(2-fluorophenyl)ethyl]-2-pyridin-2-ylacetamide
CID 110696924
1-(3-chloro-2-pyridinyl)-3-[2-(2,3,4-trifluorophenyl)ethyl]thiourea
CID 22923258
2-amino-N-[2-(2,3,4-trifluorophenyl)ethyl]acetamide
CID 110477577
N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]pyridine-2-carboxamide
CID 110795764

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3,4-trifluorophenyl)ethyl]pyridine-2-carboxamide?
The IUPAC name of N-[2-(2,3,4-trifluorophenyl)ethyl]pyridine-2-carboxamide (CID 110481973) is N-[2-(2,3,4-trifluorophenyl)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(2,3,4-trifluorophenyl)ethyl]pyridine-2-carboxamide?
The canonical SMILES for N-[2-(2,3,4-trifluorophenyl)ethyl]pyridine-2-carboxamide is O=C(NCCc1ccc(F)c(F)c1F)c1ccccn1.
What is the InChIKey of N-[2-(2,3,4-trifluorophenyl)ethyl]pyridine-2-carboxamide?
The InChIKey is PONRBWJUESDTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O/c15-10-5-4-9(12(16)13(10)17)6-8-19-14(20)11-3-1-2-7-18-11/h1-5,7H,6,8H2,(H,19,20).
What are the key properties of N-[2-(2,3,4-trifluorophenyl)ethyl]pyridine-2-carboxamide?
N-[2-(2,3,4-trifluorophenyl)ethyl]pyridine-2-carboxamide has a molecular weight of 280.25 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3,4-trifluorophenyl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 110481973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).