N-[3-(4-fluorophenoxy)propyl]-3-hydroxy-N-methylpyridine-2-carboxamide

C16H17FN2O3 — CID 122159861

IUPACN-[3-(4-fluorophenoxy)propyl]-3-hydroxy-N-methylpyridine-2-carboxamide
SMILESCN(CCCOc1ccc(F)cc1)C(=O)c1ncccc1O
InChIInChI=1S/C16H17FN2O3/c1-19(16(21)15-14(20)4-2-9-18-15)10-3-11-22-13-7-5-12(17)6-8-13/h2,4-9,20H,3,10-11H2,1H3
InChIKeyTYJXILVTULRBQS-UHFFFAOYSA-N
MW304.32 g/mol
LogP2.47
Rot. Bonds6

About N-[3-(4-fluorophenoxy)propyl]-3-hydroxy-N-methylpyridine-2-carboxamide

N-[3-(4-fluorophenoxy)propyl]-3-hydroxy-N-methylpyridine-2-carboxamide (PubChem CID 122159861) has the molecular formula C16H17FN2O3 and a molecular weight of 304.32 g/mol. Its IUPAC name is N-[3-(4-fluorophenoxy)propyl]-3-hydroxy-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenoxy)propyl]-3-hydroxy-N-methylpyridine-2-carboxamide
PubChem CID122159861
Molecular FormulaC16H17FN2O3
Molecular Weight304.32 g/mol
Exact Mass304.12
IUPAC NameN-[3-(4-fluorophenoxy)propyl]-3-hydroxy-N-methylpyridine-2-carboxamide
SMILESCN(CCCOc1ccc(F)cc1)C(=O)c1ncccc1O
InChIInChI=1S/C16H17FN2O3/c1-19(16(21)15-14(20)4-2-9-18-15)10-3-11-22-13-7-5-12(17)6-8-13/h2,4-9,20H,3,10-11H2,1H3
InChIKeyTYJXILVTULRBQS-UHFFFAOYSA-N
XLogP2.47
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(dimethylamino)propyl]-3-hydroxy-N-methylpyridine-2-carboxamide
CID 55228119
N-(2-ethoxyethyl)-3-hydroxy-N-methylpyridine-2-carboxamide
CID 81056077
3-bromo-N-(3-methoxypropyl)-N-methylpyridine-2-carboxamide
CID 107518946
N-[2-(4-fluorophenoxy)ethyl]-N-methylquinoline-8-carboxamide
CID 18119617
2-chloro-N-[3-(4-fluorophenoxy)propyl]-N-methylacetamide
CID 54592497
N-[3-(4-fluorophenoxy)propyl]-N-methyl-2-phenylmethoxypyridine-4-carboxamide
CID 60567032
N-[2-(4-fluorophenoxy)ethyl]-N-methyl-1H-indazole-3-carboxamide
CID 18119662
2-[3-(4-fluorophenoxy)propyl-methylamino]propanamide
CID 46444990
6-fluoro-N-[2-(4-fluorophenoxy)ethyl]-N-methylpyridine-2-carboxamide
CID 115497073
3-amino-N-[2-(3-fluorophenoxy)ethyl]-N-methylpyridine-2-carboxamide
CID 104741689
N-butyl-4-(4-fluorophenoxy)-N-methylbutanamide
CID 110487595
3-hydroxy-N-[(2-methoxyphenyl)methyl]-N-methylpyridine-2-carboxamide
CID 61417620

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenoxy)propyl]-3-hydroxy-N-methylpyridine-2-carboxamide?
The IUPAC name of N-[3-(4-fluorophenoxy)propyl]-3-hydroxy-N-methylpyridine-2-carboxamide (CID 122159861) is N-[3-(4-fluorophenoxy)propyl]-3-hydroxy-N-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[3-(4-fluorophenoxy)propyl]-3-hydroxy-N-methylpyridine-2-carboxamide?
The canonical SMILES for N-[3-(4-fluorophenoxy)propyl]-3-hydroxy-N-methylpyridine-2-carboxamide is CN(CCCOc1ccc(F)cc1)C(=O)c1ncccc1O.
What is the InChIKey of N-[3-(4-fluorophenoxy)propyl]-3-hydroxy-N-methylpyridine-2-carboxamide?
The InChIKey is TYJXILVTULRBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O3/c1-19(16(21)15-14(20)4-2-9-18-15)10-3-11-22-13-7-5-12(17)6-8-13/h2,4-9,20H,3,10-11H2,1H3.
What are the key properties of N-[3-(4-fluorophenoxy)propyl]-3-hydroxy-N-methylpyridine-2-carboxamide?
N-[3-(4-fluorophenoxy)propyl]-3-hydroxy-N-methylpyridine-2-carboxamide has a molecular weight of 304.32 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenoxy)propyl]-3-hydroxy-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 122159861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).