6-amino-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]pyridine-3-carboxamide

C14H11F3N4O2 — CID 166201937

IUPAC6-amino-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]pyridine-3-carboxamide
SMILESNc1ccc(C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)cn1
InChIInChI=1S/C14H11F3N4O2/c15-8-2-3-9(13(17)12(8)16)21-11(22)6-20-14(23)7-1-4-10(18)19-5-7/h1-5H,6H2,(H2,18,19)(H,20,23)(H,21,22)
InChIKeyJGJFMJBDQMYRGU-UHFFFAOYSA-N
MW324.26 g/mol
LogP1.45
Rot. Bonds4

About 6-amino-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]pyridine-3-carboxamide

6-amino-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]pyridine-3-carboxamide (PubChem CID 166201937) has the molecular formula C14H11F3N4O2 and a molecular weight of 324.26 g/mol. Its IUPAC name is 6-amino-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-amino-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]pyridine-3-carboxamide
PubChem CID166201937
Molecular FormulaC14H11F3N4O2
Molecular Weight324.26 g/mol
Exact Mass324.08
IUPAC Name6-amino-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]pyridine-3-carboxamide
SMILESNc1ccc(C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)cn1
InChIInChI=1S/C14H11F3N4O2/c15-8-2-3-9(13(17)12(8)16)21-11(22)6-20-14(23)7-1-4-10(18)19-5-7/h1-5H,6H2,(H2,18,19)(H,20,23)(H,21,22)
InChIKeyJGJFMJBDQMYRGU-UHFFFAOYSA-N
XLogP1.45
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.26
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide
CID 2113466
N-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl]furan-3-carboxamide
CID 55648350
3,4,5-trimethoxy-N-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl]benzamide
CID 26676496
4-[(4-chlorophenyl)sulfanylmethyl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide
CID 27812929
methyl 4-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]benzoate
CID 109010186
3-methoxy-4-(2-methylpropoxy)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide
CID 27812831
6-amino-N-(2,5-difluorophenyl)pyridine-3-carboxamide
CID 62152342
1-(3-chlorophenyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]pyrazole-4-carboxamide
CID 55874321
3-methylsulfonyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide
CID 27812742
2-(4-bromobenzoyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide
CID 55533610
6-amino-N-(2-fluorophenyl)pyridine-3-carboxamide
CID 62155230
6-amino-N-(2,3,5,6-tetrafluorophenyl)pyridine-3-carboxamide
CID 107642987

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]pyridine-3-carboxamide?
The IUPAC name of 6-amino-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]pyridine-3-carboxamide (CID 166201937) is 6-amino-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-amino-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 6-amino-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]pyridine-3-carboxamide is Nc1ccc(C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)cn1.
What is the InChIKey of 6-amino-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]pyridine-3-carboxamide?
The InChIKey is JGJFMJBDQMYRGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N4O2/c15-8-2-3-9(13(17)12(8)16)21-11(22)6-20-14(23)7-1-4-10(18)19-5-7/h1-5H,6H2,(H2,18,19)(H,20,23)(H,21,22).
What are the key properties of 6-amino-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]pyridine-3-carboxamide?
6-amino-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]pyridine-3-carboxamide has a molecular weight of 324.26 g/mol, XLogP of 1.45, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 166201937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).