N-(3-aminopropyl)-N-benzyl-5-fluoropyridine-3-carboxamide

C16H18FN3O — CID 107365924

IUPACN-(3-aminopropyl)-N-benzyl-5-fluoropyridine-3-carboxamide
SMILESNCCCN(Cc1ccccc1)C(=O)c1cncc(F)c1
InChIInChI=1S/C16H18FN3O/c17-15-9-14(10-19-11-15)16(21)20(8-4-7-18)12-13-5-2-1-3-6-13/h1-3,5-6,9-11H,4,7-8,12,18H2
InChIKeyRFXHXLZKUYIBMR-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.21
Rot. Bonds6

About N-(3-aminopropyl)-N-benzyl-5-fluoropyridine-3-carboxamide

N-(3-aminopropyl)-N-benzyl-5-fluoropyridine-3-carboxamide (PubChem CID 107365924) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-benzyl-5-fluoropyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-benzyl-5-fluoropyridine-3-carboxamide
PubChem CID107365924
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC NameN-(3-aminopropyl)-N-benzyl-5-fluoropyridine-3-carboxamide
SMILESNCCCN(Cc1ccccc1)C(=O)c1cncc(F)c1
InChIInChI=1S/C16H18FN3O/c17-15-9-14(10-19-11-15)16(21)20(8-4-7-18)12-13-5-2-1-3-6-13/h1-3,5-6,9-11H,4,7-8,12,18H2
InChIKeyRFXHXLZKUYIBMR-UHFFFAOYSA-N
XLogP2.21
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-5-fluoro-N-(2-phenylethyl)pyridine-3-carboxamide;dihydrochloride
CID 120885347
N-(3-aminopropyl)-N-benzyl-4-methylbenzamide
CID 107365954
N-(3-aminopropyl)-N-benzyl-3-bromobenzamide
CID 107365609
N-(3-aminopropyl)-N-benzyl-3-iodobenzamide
CID 107365856
N-(3-aminopropyl)-N-benzyl-6-methylpyridine-3-carboxamide;dihydrochloride
CID 120649613
N-[3-[[3-aminopropyl(benzoyl)amino]methyl]phenyl]-3-fluorobenzamide
CID 23824934
N-[(4-aminophenyl)methyl]-N-ethyl-5-fluoropyridine-3-carboxamide
CID 104785376
N-(3-aminopropyl)-N-benzyl-3,5-dimethoxybenzamide;hydrochloride
CID 120649276
N-(3-aminopropyl)-N-benzyl-4-(methoxymethyl)benzamide
CID 120649040
N-(3-aminopropyl)-N-benzyl-3-hydroxypyridine-2-carboxamide
CID 107366166
N-[(3,4-dichlorophenyl)methyl]-5-fluoro-N-(2-hydroxyethyl)pyridine-3-carboxamide
CID 75496845
3-N-(3-aminopropyl)-3-N-benzyl-1-N-methylbenzene-1,3-dicarboxamide
CID 120648912

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-benzyl-5-fluoropyridine-3-carboxamide?
The IUPAC name of N-(3-aminopropyl)-N-benzyl-5-fluoropyridine-3-carboxamide (CID 107365924) is N-(3-aminopropyl)-N-benzyl-5-fluoropyridine-3-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-N-benzyl-5-fluoropyridine-3-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-N-benzyl-5-fluoropyridine-3-carboxamide is NCCCN(Cc1ccccc1)C(=O)c1cncc(F)c1.
What is the InChIKey of N-(3-aminopropyl)-N-benzyl-5-fluoropyridine-3-carboxamide?
The InChIKey is RFXHXLZKUYIBMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O/c17-15-9-14(10-19-11-15)16(21)20(8-4-7-18)12-13-5-2-1-3-6-13/h1-3,5-6,9-11H,4,7-8,12,18H2.
What are the key properties of N-(3-aminopropyl)-N-benzyl-5-fluoropyridine-3-carboxamide?
N-(3-aminopropyl)-N-benzyl-5-fluoropyridine-3-carboxamide has a molecular weight of 287.34 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-benzyl-5-fluoropyridine-3-carboxamide is sourced from PubChem (CID 107365924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).