N-(2-aminoethyl)-5-fluoro-N-(2-phenylethyl)pyridine-3-carboxamide;dihydrochloride

C16H20Cl2FN3O — CID 120885347

IUPACN-(2-aminoethyl)-5-fluoro-N-(2-phenylethyl)pyridine-3-carboxamide;dihydrochloride
SMILESCl.Cl.NCCN(CCc1ccccc1)C(=O)c1cncc(F)c1
InChIInChI=1S/C16H18FN3O.2ClH/c17-15-10-14(11-19-12-15)16(21)20(9-7-18)8-6-13-4-2-1-3-5-13;;/h1-5,10-12H,6-9,18H2;2*1H
InChIKeyZZZURQKHHKGOSG-UHFFFAOYSA-N
MW360.26 g/mol
LogP2.71
Rot. Bonds6

About N-(2-aminoethyl)-5-fluoro-N-(2-phenylethyl)pyridine-3-carboxamide;dihydrochloride

N-(2-aminoethyl)-5-fluoro-N-(2-phenylethyl)pyridine-3-carboxamide;dihydrochloride (PubChem CID 120885347) has the molecular formula C16H20Cl2FN3O and a molecular weight of 360.26 g/mol. Its IUPAC name is N-(2-aminoethyl)-5-fluoro-N-(2-phenylethyl)pyridine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-5-fluoro-N-(2-phenylethyl)pyridine-3-carboxamide;dihydrochloride
PubChem CID120885347
Molecular FormulaC16H20Cl2FN3O
Molecular Weight360.26 g/mol
Exact Mass359.10
IUPAC NameN-(2-aminoethyl)-5-fluoro-N-(2-phenylethyl)pyridine-3-carboxamide;dihydrochloride
SMILESCl.Cl.NCCN(CCc1ccccc1)C(=O)c1cncc(F)c1
InChIInChI=1S/C16H18FN3O.2ClH/c17-15-10-14(11-19-12-15)16(21)20(9-7-18)8-6-13-4-2-1-3-5-13;;/h1-5,10-12H,6-9,18H2;2*1H
InChIKeyZZZURQKHHKGOSG-UHFFFAOYSA-N
XLogP2.71
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.26
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminopropyl)-N-benzyl-5-fluoropyridine-3-carboxamide
CID 107365924
N-(2-aminoethyl)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 120885554
3-N,3-N,5-N,5-N-tetrakis(2-aminoethyl)pyridine-3,5-dicarboxamide
CID 67532507
4-acetyl-N-(2-aminoethyl)-N-(2-phenylethyl)benzamide;hydrochloride
CID 120885633
3-N-(2-aminoethyl)-1-N,1-N-dimethyl-3-N-(2-phenylethyl)benzene-1,3-dicarboxamide;hydrochloride
CID 120885749
N-(2-aminoethyl)-4-fluoro-3-(methylsulfanylmethyl)-N-(2-phenylethyl)benzamide;hydrochloride
CID 120886409
3-acetamido-N-(2-aminoethyl)-4-fluoro-N-(2-phenylethyl)benzamide
CID 120884910
N-(2-aminoethyl)-3-ethyl-N-(2-phenylethyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide;hydrochloride
CID 120885951
N-(2-aminoethyl)-2-(dimethylamino)-N-(2-phenylethyl)pyridine-4-carboxamide
CID 120884650
N-(2-aminoethyl)-3-fluoro-N-(2-phenylethyl)-4-pyrrolidin-1-ylbenzamide
CID 120886194
2-[carboxymethyl-(5-fluoropyridine-3-carbonyl)amino]acetic acid
CID 104785578
4-N-(2-aminoethyl)-1-N-ethyl-4-N-(2-phenylethyl)-1-N-propylbenzene-1,4-dicarboxamide
CID 120884506

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-5-fluoro-N-(2-phenylethyl)pyridine-3-carboxamide;dihydrochloride?
The IUPAC name of N-(2-aminoethyl)-5-fluoro-N-(2-phenylethyl)pyridine-3-carboxamide;dihydrochloride (CID 120885347) is N-(2-aminoethyl)-5-fluoro-N-(2-phenylethyl)pyridine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-5-fluoro-N-(2-phenylethyl)pyridine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-(2-aminoethyl)-5-fluoro-N-(2-phenylethyl)pyridine-3-carboxamide;dihydrochloride is Cl.Cl.NCCN(CCc1ccccc1)C(=O)c1cncc(F)c1.
What is the InChIKey of N-(2-aminoethyl)-5-fluoro-N-(2-phenylethyl)pyridine-3-carboxamide;dihydrochloride?
The InChIKey is ZZZURQKHHKGOSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O.2ClH/c17-15-10-14(11-19-12-15)16(21)20(9-7-18)8-6-13-4-2-1-3-5-13;;/h1-5,10-12H,6-9,18H2;2*1H.
What are the key properties of N-(2-aminoethyl)-5-fluoro-N-(2-phenylethyl)pyridine-3-carboxamide;dihydrochloride?
N-(2-aminoethyl)-5-fluoro-N-(2-phenylethyl)pyridine-3-carboxamide;dihydrochloride has a molecular weight of 360.26 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-5-fluoro-N-(2-phenylethyl)pyridine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 120885347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).