N-(3-aminopropyl)-N-(4-fluorophenyl)-3-hydroxypyridine-4-carboxamide

C15H16FN3O2 — CID 81440121

IUPACN-(3-aminopropyl)-N-(4-fluorophenyl)-3-hydroxypyridine-4-carboxamide
SMILESNCCCN(C(=O)c1ccncc1O)c1ccc(F)cc1
InChIInChI=1S/C15H16FN3O2/c16-11-2-4-12(5-3-11)19(9-1-7-17)15(21)13-6-8-18-10-14(13)20/h2-6,8,10,20H,1,7,9,17H2
InChIKeyXKILMDZVHZNWMT-UHFFFAOYSA-N
MW289.31 g/mol
LogP1.92
Rot. Bonds5

About N-(3-aminopropyl)-N-(4-fluorophenyl)-3-hydroxypyridine-4-carboxamide

N-(3-aminopropyl)-N-(4-fluorophenyl)-3-hydroxypyridine-4-carboxamide (PubChem CID 81440121) has the molecular formula C15H16FN3O2 and a molecular weight of 289.31 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-(4-fluorophenyl)-3-hydroxypyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-(4-fluorophenyl)-3-hydroxypyridine-4-carboxamide
PubChem CID81440121
Molecular FormulaC15H16FN3O2
Molecular Weight289.31 g/mol
Exact Mass289.12
IUPAC NameN-(3-aminopropyl)-N-(4-fluorophenyl)-3-hydroxypyridine-4-carboxamide
SMILESNCCCN(C(=O)c1ccncc1O)c1ccc(F)cc1
InChIInChI=1S/C15H16FN3O2/c16-11-2-4-12(5-3-11)19(9-1-7-17)15(21)13-6-8-18-10-14(13)20/h2-6,8,10,20H,1,7,9,17H2
InChIKeyXKILMDZVHZNWMT-UHFFFAOYSA-N
XLogP1.92
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminopropyl)-3-hydroxy-N-phenylpyridine-4-carboxamide
CID 81445429
N-(4-aminophenyl)-3-hydroxy-N-propylpyridine-4-carboxamide
CID 81446026
3-amino-N-ethyl-N-(4-fluorophenyl)pyridine-4-carboxamide
CID 105069018
1-(3-aminopropyl)-1-(4-fluorophenyl)urea
CID 43136215
N-(3-aminopropyl)-N-(4-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 102801026
N-(3-aminopropyl)-2-hydroxy-N-phenylbenzamide
CID 16791949
N-(3-aminopropyl)-N-(4-fluorophenyl)acetamide
CID 28767388
N-(2-aminoethyl)-2-fluoro-N-(4-fluorophenyl)benzamide
CID 28769276
1-(3-aminopropyl)-3,3-diethyl-1-(4-fluorophenyl)urea
CID 79154007
N'-(4-fluorophenyl)-N'-pyridin-4-ylpropane-1,3-diamine
CID 43136242
N-(3-aminopropyl)-2,3-difluoro-N-phenylbenzamide
CID 62648465
N-(3-aminopropyl)-2-hydroxy-4-methyl-N-phenylbenzamide
CID 43135936

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-(4-fluorophenyl)-3-hydroxypyridine-4-carboxamide?
The IUPAC name of N-(3-aminopropyl)-N-(4-fluorophenyl)-3-hydroxypyridine-4-carboxamide (CID 81440121) is N-(3-aminopropyl)-N-(4-fluorophenyl)-3-hydroxypyridine-4-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-N-(4-fluorophenyl)-3-hydroxypyridine-4-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-N-(4-fluorophenyl)-3-hydroxypyridine-4-carboxamide is NCCCN(C(=O)c1ccncc1O)c1ccc(F)cc1.
What is the InChIKey of N-(3-aminopropyl)-N-(4-fluorophenyl)-3-hydroxypyridine-4-carboxamide?
The InChIKey is XKILMDZVHZNWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O2/c16-11-2-4-12(5-3-11)19(9-1-7-17)15(21)13-6-8-18-10-14(13)20/h2-6,8,10,20H,1,7,9,17H2.
What are the key properties of N-(3-aminopropyl)-N-(4-fluorophenyl)-3-hydroxypyridine-4-carboxamide?
N-(3-aminopropyl)-N-(4-fluorophenyl)-3-hydroxypyridine-4-carboxamide has a molecular weight of 289.31 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-(4-fluorophenyl)-3-hydroxypyridine-4-carboxamide is sourced from PubChem (CID 81440121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).