N-butyl-5-fluoro-N-(2-hydroxyethyl)pyridine-3-carboxamide

C12H17FN2O2 — CID 115769637

IUPACN-butyl-5-fluoro-N-(2-hydroxyethyl)pyridine-3-carboxamide
SMILESCCCCN(CCO)C(=O)c1cncc(F)c1
InChIInChI=1S/C12H17FN2O2/c1-2-3-4-15(5-6-16)12(17)10-7-11(13)9-14-8-10/h7-9,16H,2-6H2,1H3
InChIKeyGADVTASZUKRUSB-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.46
Rot. Bonds6

About N-butyl-5-fluoro-N-(2-hydroxyethyl)pyridine-3-carboxamide

N-butyl-5-fluoro-N-(2-hydroxyethyl)pyridine-3-carboxamide (PubChem CID 115769637) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is N-butyl-5-fluoro-N-(2-hydroxyethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-5-fluoro-N-(2-hydroxyethyl)pyridine-3-carboxamide
PubChem CID115769637
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC NameN-butyl-5-fluoro-N-(2-hydroxyethyl)pyridine-3-carboxamide
SMILESCCCCN(CCO)C(=O)c1cncc(F)c1
InChIInChI=1S/C12H17FN2O2/c1-2-3-4-15(5-6-16)12(17)10-7-11(13)9-14-8-10/h7-9,16H,2-6H2,1H3
InChIKeyGADVTASZUKRUSB-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

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Related Compounds

5-chloro-N-(2-hydroxyethyl)-N-propylpyridine-3-carboxamide
CID 70463058
N-[(3,4-dichlorophenyl)methyl]-5-fluoro-N-(2-hydroxyethyl)pyridine-3-carboxamide
CID 75496845
5-bromo-N,N-dihexylpyridine-3-carboxamide
CID 132587531
N-butyl-4-fluoro-N-(2-hydroxyethyl)-3-methylbenzamide
CID 63213761
2-[carboxymethyl-(5-fluoropyridine-3-carbonyl)amino]acetic acid
CID 104785578
N-ethyl-5-hydroxy-N-(2-hydroxyethyl)pyridine-3-carboxamide
CID 63850012
6-fluoro-N-hexyl-N-(2-hydroxyethyl)pyridine-3-carboxamide
CID 63979343
N-butyl-N-(2-hydroxyethyl)-3-methylimidazo[4,5-b]pyridine-6-carboxamide
CID 110015222
5-fluoro-N-(1-hydroxypropan-2-yl)-N-methylpyridine-3-carboxamide
CID 115869418
6-amino-N-butyl-N-(2-hydroxyethyl)pyridine-3-carboxamide
CID 62160208
5-(butylamino)-N,N-dipropylpyridine-3-carboxamide
CID 109224616
N-butyl-N-(2-hydroxyethyl)-2-methylpyridine-4-carboxamide
CID 106753379

Frequently Asked Questions

What is the IUPAC name of N-butyl-5-fluoro-N-(2-hydroxyethyl)pyridine-3-carboxamide?
The IUPAC name of N-butyl-5-fluoro-N-(2-hydroxyethyl)pyridine-3-carboxamide (CID 115769637) is N-butyl-5-fluoro-N-(2-hydroxyethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-butyl-5-fluoro-N-(2-hydroxyethyl)pyridine-3-carboxamide?
The canonical SMILES for N-butyl-5-fluoro-N-(2-hydroxyethyl)pyridine-3-carboxamide is CCCCN(CCO)C(=O)c1cncc(F)c1.
What is the InChIKey of N-butyl-5-fluoro-N-(2-hydroxyethyl)pyridine-3-carboxamide?
The InChIKey is GADVTASZUKRUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2/c1-2-3-4-15(5-6-16)12(17)10-7-11(13)9-14-8-10/h7-9,16H,2-6H2,1H3.
What are the key properties of N-butyl-5-fluoro-N-(2-hydroxyethyl)pyridine-3-carboxamide?
N-butyl-5-fluoro-N-(2-hydroxyethyl)pyridine-3-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 N-butyl-5-fluoro-N-(2-hydroxyethyl)pyridine-3-carboxamide is sourced from PubChem (CID 115769637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).