2-fluoro-N-(5-hydroxypentyl)-N-methylpyridine-4-carboxamide

C12H17FN2O2 — CID 107199083

IUPAC2-fluoro-N-(5-hydroxypentyl)-N-methylpyridine-4-carboxamide
SMILESCN(CCCCCO)C(=O)c1ccnc(F)c1
InChIInChI=1S/C12H17FN2O2/c1-15(7-3-2-4-8-16)12(17)10-5-6-14-11(13)9-10/h5-6,9,16H,2-4,7-8H2,1H3
InChIKeyIWCSJRZYSHOUCN-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.46
Rot. Bonds6

About 2-fluoro-N-(5-hydroxypentyl)-N-methylpyridine-4-carboxamide

2-fluoro-N-(5-hydroxypentyl)-N-methylpyridine-4-carboxamide (PubChem CID 107199083) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is 2-fluoro-N-(5-hydroxypentyl)-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-fluoro-N-(5-hydroxypentyl)-N-methylpyridine-4-carboxamide
PubChem CID107199083
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC Name2-fluoro-N-(5-hydroxypentyl)-N-methylpyridine-4-carboxamide
SMILESCN(CCCCCO)C(=O)c1ccnc(F)c1
InChIInChI=1S/C12H17FN2O2/c1-15(7-3-2-4-8-16)12(17)10-5-6-14-11(13)9-10/h5-6,9,16H,2-4,7-8H2,1H3
InChIKeyIWCSJRZYSHOUCN-UHFFFAOYSA-N
XLogP1.46
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-N-methyl-N-propylpyridine-4-carboxamide
CID 61293439
N-[2-(dimethylamino)ethyl]-2-fluoro-N-methylpyridine-4-carboxamide
CID 63693462
2-fluoro-N-methyl-N-(2-propan-2-yloxyethyl)pyridine-4-carboxamide
CID 80710277
3-bromo-4-fluoro-N-(5-hydroxypentyl)-N-methylbenzamide
CID 107300854
2-fluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-4-carboxamide
CID 63207878
2-fluoro-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-4-carboxamide
CID 63929110
2-fluoro-N-[2-(2-fluorophenoxy)ethyl]-N-methylpyridine-4-carboxamide
CID 61294548
2,4,6-trifluoro-N-(5-hydroxypentyl)-N-methylbenzamide
CID 107202076
N-(5-hydroxypentyl)-N,6-dimethylpyridine-3-carboxamide
CID 107201918
N-(5-hydroxypentyl)-N-methyl-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 107199978
3-carbamothioyl-N-(5-hydroxypentyl)-N-methylbenzamide
CID 107199741
2-(aminomethyl)-N-methyl-N-[3-(methylamino)propyl]pyridine-4-carboxamide
CID 114326834

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(5-hydroxypentyl)-N-methylpyridine-4-carboxamide?
The IUPAC name of 2-fluoro-N-(5-hydroxypentyl)-N-methylpyridine-4-carboxamide (CID 107199083) is 2-fluoro-N-(5-hydroxypentyl)-N-methylpyridine-4-carboxamide.
What is the SMILES notation for 2-fluoro-N-(5-hydroxypentyl)-N-methylpyridine-4-carboxamide?
The canonical SMILES for 2-fluoro-N-(5-hydroxypentyl)-N-methylpyridine-4-carboxamide is CN(CCCCCO)C(=O)c1ccnc(F)c1.
What is the InChIKey of 2-fluoro-N-(5-hydroxypentyl)-N-methylpyridine-4-carboxamide?
The InChIKey is IWCSJRZYSHOUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2/c1-15(7-3-2-4-8-16)12(17)10-5-6-14-11(13)9-10/h5-6,9,16H,2-4,7-8H2,1H3.
What are the key properties of 2-fluoro-N-(5-hydroxypentyl)-N-methylpyridine-4-carboxamide?
2-fluoro-N-(5-hydroxypentyl)-N-methylpyridine-4-carboxamide has a molecular weight of 240.28 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(5-hydroxypentyl)-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 107199083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).