N-(1-ethoxypropan-2-yl)-6-fluoropyridine-3-carboxamide

C11H15FN2O2 — CID 63977834

IUPACN-(1-ethoxypropan-2-yl)-6-fluoropyridine-3-carboxamide
SMILESCCOCC(C)NC(=O)c1ccc(F)nc1
InChIInChI=1S/C11H15FN2O2/c1-3-16-7-8(2)14-11(15)9-4-5-10(12)13-6-9/h4-6,8H,3,7H2,1-2H3,(H,14,15)
InChIKeySEXHWLINHJJMHT-UHFFFAOYSA-N
MW226.25 g/mol
LogP1.38
Rot. Bonds5

About N-(1-ethoxypropan-2-yl)-6-fluoropyridine-3-carboxamide

N-(1-ethoxypropan-2-yl)-6-fluoropyridine-3-carboxamide (PubChem CID 63977834) has the molecular formula C11H15FN2O2 and a molecular weight of 226.25 g/mol. Its IUPAC name is N-(1-ethoxypropan-2-yl)-6-fluoropyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-ethoxypropan-2-yl)-6-fluoropyridine-3-carboxamide
PubChem CID63977834
Molecular FormulaC11H15FN2O2
Molecular Weight226.25 g/mol
Exact Mass226.11
IUPAC NameN-(1-ethoxypropan-2-yl)-6-fluoropyridine-3-carboxamide
SMILESCCOCC(C)NC(=O)c1ccc(F)nc1
InChIInChI=1S/C11H15FN2O2/c1-3-16-7-8(2)14-11(15)9-4-5-10(12)13-6-9/h4-6,8H,3,7H2,1-2H3,(H,14,15)
InChIKeySEXHWLINHJJMHT-UHFFFAOYSA-N
XLogP1.38
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-4-oxobutan-2-yl)-6-fluoropyridine-3-carboxamide
CID 115674679
N-(1-ethoxypropan-2-yl)-4-iodobenzamide
CID 47903616
N-(1-ethoxypropan-2-yl)benzamide
CID 47903637
methyl 2-[(6-fluoropyridine-3-carbonyl)amino]propanoate
CID 63977637
6-fluoro-N-[2-(2-methylpropoxy)ethyl]pyridine-3-carboxamide
CID 115627193
(2S)-2-[(6-fluoropyridine-3-carbonyl)amino]-3-methylbutanoic acid
CID 103804178
6-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)pyridine-3-carboxamide
CID 63977631
N-[1-(dimethylamino)-4-methylpentan-2-yl]-6-fluoropyridine-3-carboxamide
CID 63978149
6-fluoro-N-(2-hydroxy-3-methylbutyl)pyridine-3-carboxamide
CID 115746110
4-bromo-N-(1-ethoxypropan-2-yl)-3-(trifluoromethyl)benzamide
CID 81448376
6-fluoro-N-(2-hydroxypropyl)pyridine-3-carboxamide
CID 63980450
N-butan-2-yl-6-(methylamino)pyridine-3-carboxamide
CID 62171833

Frequently Asked Questions

What is the IUPAC name of N-(1-ethoxypropan-2-yl)-6-fluoropyridine-3-carboxamide?
The IUPAC name of N-(1-ethoxypropan-2-yl)-6-fluoropyridine-3-carboxamide (CID 63977834) is N-(1-ethoxypropan-2-yl)-6-fluoropyridine-3-carboxamide.
What is the SMILES notation for N-(1-ethoxypropan-2-yl)-6-fluoropyridine-3-carboxamide?
The canonical SMILES for N-(1-ethoxypropan-2-yl)-6-fluoropyridine-3-carboxamide is CCOCC(C)NC(=O)c1ccc(F)nc1.
What is the InChIKey of N-(1-ethoxypropan-2-yl)-6-fluoropyridine-3-carboxamide?
The InChIKey is SEXHWLINHJJMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2/c1-3-16-7-8(2)14-11(15)9-4-5-10(12)13-6-9/h4-6,8H,3,7H2,1-2H3,(H,14,15).
What are the key properties of N-(1-ethoxypropan-2-yl)-6-fluoropyridine-3-carboxamide?
N-(1-ethoxypropan-2-yl)-6-fluoropyridine-3-carboxamide has a molecular weight of 226.25 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethoxypropan-2-yl)-6-fluoropyridine-3-carboxamide is sourced from PubChem (CID 63977834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).