N-[4-(2-aminoethyl)phenyl]-5-fluoropyridine-3-carboxamide

C14H14FN3O — CID 104785334

IUPACN-[4-(2-aminoethyl)phenyl]-5-fluoropyridine-3-carboxamide
SMILESNCCc1ccc(NC(=O)c2cncc(F)c2)cc1
InChIInChI=1S/C14H14FN3O/c15-12-7-11(8-17-9-12)14(19)18-13-3-1-10(2-4-13)5-6-16/h1-4,7-9H,5-6,16H2,(H,18,19)
InChIKeyAATRAKUOEPXDPT-UHFFFAOYSA-N
MW259.28 g/mol
LogP1.97
Rot. Bonds4

About N-[4-(2-aminoethyl)phenyl]-5-fluoropyridine-3-carboxamide

N-[4-(2-aminoethyl)phenyl]-5-fluoropyridine-3-carboxamide (PubChem CID 104785334) has the molecular formula C14H14FN3O and a molecular weight of 259.28 g/mol. Its IUPAC name is N-[4-(2-aminoethyl)phenyl]-5-fluoropyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2-aminoethyl)phenyl]-5-fluoropyridine-3-carboxamide
PubChem CID104785334
Molecular FormulaC14H14FN3O
Molecular Weight259.28 g/mol
Exact Mass259.11
IUPAC NameN-[4-(2-aminoethyl)phenyl]-5-fluoropyridine-3-carboxamide
SMILESNCCc1ccc(NC(=O)c2cncc(F)c2)cc1
InChIInChI=1S/C14H14FN3O/c15-12-7-11(8-17-9-12)14(19)18-13-3-1-10(2-4-13)5-6-16/h1-4,7-9H,5-6,16H2,(H,18,19)
InChIKeyAATRAKUOEPXDPT-UHFFFAOYSA-N
XLogP1.97
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2-bromoethyl)phenyl]-5-fluoropyridine-3-carboxamide
CID 104786611
N-(4-amino-3-fluorophenyl)-5-fluoropyridine-3-carboxamide
CID 104785444
5-N-(4-fluorophenyl)-3-N-[2-(4-fluorophenyl)ethyl]pyridine-3,5-dicarboxamide
CID 109106374
5-fluoro-N-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]pyridine-3-carboxamide
CID 104786337
N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-5-fluoropyridine-3-carboxamide
CID 104786329
N-(4-bromo-3-fluorophenyl)-5-fluoropyridine-3-carboxamide
CID 115694774
N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-5-fluoropyridine-3-carboxamide
CID 131920050
N-[4-(2-aminoethyl)phenyl]-3-fluoropyridine-4-carboxamide
CID 64951437
5-fluoro-N-[4-(1-hydroxyethyl)phenyl]pyridine-3-carboxamide
CID 104786162
3-N-[2-(4-fluorophenyl)ethyl]-5-N-phenylpyridine-3,5-dicarboxamide
CID 109106358
N-(4-chlorophenyl)-5-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide
CID 109233729
N-[4-(2-aminoethyl)phenyl]-4-methylbenzamide
CID 28754500

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-aminoethyl)phenyl]-5-fluoropyridine-3-carboxamide?
The IUPAC name of N-[4-(2-aminoethyl)phenyl]-5-fluoropyridine-3-carboxamide (CID 104785334) is N-[4-(2-aminoethyl)phenyl]-5-fluoropyridine-3-carboxamide.
What is the SMILES notation for N-[4-(2-aminoethyl)phenyl]-5-fluoropyridine-3-carboxamide?
The canonical SMILES for N-[4-(2-aminoethyl)phenyl]-5-fluoropyridine-3-carboxamide is NCCc1ccc(NC(=O)c2cncc(F)c2)cc1.
What is the InChIKey of N-[4-(2-aminoethyl)phenyl]-5-fluoropyridine-3-carboxamide?
The InChIKey is AATRAKUOEPXDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O/c15-12-7-11(8-17-9-12)14(19)18-13-3-1-10(2-4-13)5-6-16/h1-4,7-9H,5-6,16H2,(H,18,19).
What are the key properties of N-[4-(2-aminoethyl)phenyl]-5-fluoropyridine-3-carboxamide?
N-[4-(2-aminoethyl)phenyl]-5-fluoropyridine-3-carboxamide has a molecular weight of 259.28 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-aminoethyl)phenyl]-5-fluoropyridine-3-carboxamide is sourced from PubChem (CID 104785334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).