N-[2-ethyl-2-(hydroxymethyl)butyl]-3-fluoropyridine-4-carboxamide

C13H19FN2O2 — CID 113331537

IUPACN-[2-ethyl-2-(hydroxymethyl)butyl]-3-fluoropyridine-4-carboxamide
SMILESCCC(CC)(CO)CNC(=O)c1ccncc1F
InChIInChI=1S/C13H19FN2O2/c1-3-13(4-2,9-17)8-16-12(18)10-5-6-15-7-11(10)14/h5-7,17H,3-4,8-9H2,1-2H3,(H,16,18)
InChIKeyCXJBEKGAUZLXMS-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.75
Rot. Bonds6

About N-[2-ethyl-2-(hydroxymethyl)butyl]-3-fluoropyridine-4-carboxamide

N-[2-ethyl-2-(hydroxymethyl)butyl]-3-fluoropyridine-4-carboxamide (PubChem CID 113331537) has the molecular formula C13H19FN2O2 and a molecular weight of 254.30 g/mol. Its IUPAC name is N-[2-ethyl-2-(hydroxymethyl)butyl]-3-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-ethyl-2-(hydroxymethyl)butyl]-3-fluoropyridine-4-carboxamide
PubChem CID113331537
Molecular FormulaC13H19FN2O2
Molecular Weight254.30 g/mol
Exact Mass254.14
IUPAC NameN-[2-ethyl-2-(hydroxymethyl)butyl]-3-fluoropyridine-4-carboxamide
SMILESCCC(CC)(CO)CNC(=O)c1ccncc1F
InChIInChI=1S/C13H19FN2O2/c1-3-13(4-2,9-17)8-16-12(18)10-5-6-15-7-11(10)14/h5-7,17H,3-4,8-9H2,1-2H3,(H,16,18)
InChIKeyCXJBEKGAUZLXMS-UHFFFAOYSA-N
XLogP1.75
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-dimethylpropyl)-3-fluoropyridine-4-carboxamide
CID 115646049
3-fluoro-N-(4-hydroxy-2,2-dimethylbutyl)pyridine-4-carboxamide
CID 103825033
N-[2-(dimethylamino)-2-methylpropyl]-3-fluoropyridine-4-carboxamide
CID 115646224
N-(2,2-dimethylheptyl)-3-fluoropyridine-4-carboxamide
CID 115686817
N-(3-amino-2,2-difluoropropyl)-3-fluoropyridine-4-carboxamide
CID 114383432
N-[2-(aminomethyl)-2-ethylbutyl]-3-hydroxypyridine-4-carboxamide
CID 114164077
3-fluoro-N-(3-hydroxypropyl)pyridine-4-carboxamide
CID 64950514
N-[2-ethyl-2-(hydroxymethyl)butyl]-2,6-difluoro-3-methylbenzamide
CID 103878793
3-fluoro-N-[2-(propylamino)ethyl]pyridine-4-carboxamide
CID 64951481
3-fluoro-N-(2-methylbutyl)pyridine-4-carboxamide
CID 105066570
3-fluoro-N-[2-(2-methylpropanoylamino)ethyl]pyridine-4-carboxamide
CID 115645511
3-fluoro-N-(5-hydroxypentyl)pyridine-4-carboxamide
CID 107317148

Frequently Asked Questions

What is the IUPAC name of N-[2-ethyl-2-(hydroxymethyl)butyl]-3-fluoropyridine-4-carboxamide?
The IUPAC name of N-[2-ethyl-2-(hydroxymethyl)butyl]-3-fluoropyridine-4-carboxamide (CID 113331537) is N-[2-ethyl-2-(hydroxymethyl)butyl]-3-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-[2-ethyl-2-(hydroxymethyl)butyl]-3-fluoropyridine-4-carboxamide?
The canonical SMILES for N-[2-ethyl-2-(hydroxymethyl)butyl]-3-fluoropyridine-4-carboxamide is CCC(CC)(CO)CNC(=O)c1ccncc1F.
What is the InChIKey of N-[2-ethyl-2-(hydroxymethyl)butyl]-3-fluoropyridine-4-carboxamide?
The InChIKey is CXJBEKGAUZLXMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-3-13(4-2,9-17)8-16-12(18)10-5-6-15-7-11(10)14/h5-7,17H,3-4,8-9H2,1-2H3,(H,16,18).
What are the key properties of N-[2-ethyl-2-(hydroxymethyl)butyl]-3-fluoropyridine-4-carboxamide?
N-[2-ethyl-2-(hydroxymethyl)butyl]-3-fluoropyridine-4-carboxamide has a molecular weight of 254.30 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethyl-2-(hydroxymethyl)butyl]-3-fluoropyridine-4-carboxamide is sourced from PubChem (CID 113331537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).