N-[2-(2-amino-2-oxoethyl)phenyl]-2-fluoropyridine-4-carboxamide

C14H12FN3O2 — CID 61295295

IUPACN-[2-(2-amino-2-oxoethyl)phenyl]-2-fluoropyridine-4-carboxamide
SMILESNC(=O)Cc1ccccc1NC(=O)c1ccnc(F)c1
InChIInChI=1S/C14H12FN3O2/c15-12-7-10(5-6-17-12)14(20)18-11-4-2-1-3-9(11)8-13(16)19/h1-7H,8H2,(H2,16,19)(H,18,20)
InChIKeyXXYQDOWBTURIKV-UHFFFAOYSA-N
MW273.27 g/mol
LogP1.50
Rot. Bonds4

About N-[2-(2-amino-2-oxoethyl)phenyl]-2-fluoropyridine-4-carboxamide

N-[2-(2-amino-2-oxoethyl)phenyl]-2-fluoropyridine-4-carboxamide (PubChem CID 61295295) has the molecular formula C14H12FN3O2 and a molecular weight of 273.27 g/mol. Its IUPAC name is N-[2-(2-amino-2-oxoethyl)phenyl]-2-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-amino-2-oxoethyl)phenyl]-2-fluoropyridine-4-carboxamide
PubChem CID61295295
Molecular FormulaC14H12FN3O2
Molecular Weight273.27 g/mol
Exact Mass273.09
IUPAC NameN-[2-(2-amino-2-oxoethyl)phenyl]-2-fluoropyridine-4-carboxamide
SMILESNC(=O)Cc1ccccc1NC(=O)c1ccnc(F)c1
InChIInChI=1S/C14H12FN3O2/c15-12-7-10(5-6-17-12)14(20)18-11-4-2-1-3-9(11)8-13(16)19/h1-7H,8H2,(H2,16,19)(H,18,20)
InChIKeyXXYQDOWBTURIKV-UHFFFAOYSA-N
XLogP1.50
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.27
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(2-ethylphenyl)-2-fluoropyridine-4-carboxamide
CID 61294713
2-fluoro-N-[2-(hydroxymethyl)phenyl]pyridine-4-carboxamide
CID 61294571
N-(2-carbamoylphenyl)-2-fluoropyridine-4-carboxamide
CID 60565205
2-[2-[(2-bromopyridine-4-carbonyl)amino]phenyl]acetic acid
CID 103803916
4-amino-N-[2-(2-amino-2-oxoethyl)phenyl]benzamide
CID 43697115
2-N,4-N-bis(2-ethylphenyl)pyridine-2,4-dicarboxamide
CID 109092181
N-[2-(2-amino-2-oxoethyl)phenyl]-5-bromopyridine-3-carboxamide
CID 47166830
N-(2-ethylphenyl)-2-hydrazinylpyridine-4-carboxamide
CID 55050638
2-fluoro-N-(2-methyl-3-sulfamoylphenyl)pyridine-4-carboxamide
CID 61293813
2-fluoro-N-[2-(triazol-1-yl)phenyl]pyridine-4-carboxamide
CID 61294563
3-[(2-fluoropyridine-4-carbonyl)amino]-2-methylbenzoic acid
CID 61295104
2-fluoro-N-[2-(4-methylphenoxy)phenyl]pyridine-4-carboxamide
CID 60565493

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-amino-2-oxoethyl)phenyl]-2-fluoropyridine-4-carboxamide?
The IUPAC name of N-[2-(2-amino-2-oxoethyl)phenyl]-2-fluoropyridine-4-carboxamide (CID 61295295) is N-[2-(2-amino-2-oxoethyl)phenyl]-2-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-[2-(2-amino-2-oxoethyl)phenyl]-2-fluoropyridine-4-carboxamide?
The canonical SMILES for N-[2-(2-amino-2-oxoethyl)phenyl]-2-fluoropyridine-4-carboxamide is NC(=O)Cc1ccccc1NC(=O)c1ccnc(F)c1.
What is the InChIKey of N-[2-(2-amino-2-oxoethyl)phenyl]-2-fluoropyridine-4-carboxamide?
The InChIKey is XXYQDOWBTURIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O2/c15-12-7-10(5-6-17-12)14(20)18-11-4-2-1-3-9(11)8-13(16)19/h1-7H,8H2,(H2,16,19)(H,18,20).
What are the key properties of N-[2-(2-amino-2-oxoethyl)phenyl]-2-fluoropyridine-4-carboxamide?
N-[2-(2-amino-2-oxoethyl)phenyl]-2-fluoropyridine-4-carboxamide has a molecular weight of 273.27 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-amino-2-oxoethyl)phenyl]-2-fluoropyridine-4-carboxamide is sourced from PubChem (CID 61295295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).