N-(1-ethoxy-3-methylbutan-2-yl)-3-fluoropyridine-4-carboxamide

C13H19FN2O2 — CID 103274823

IUPACN-(1-ethoxy-3-methylbutan-2-yl)-3-fluoropyridine-4-carboxamide
SMILESCCOCC(NC(=O)c1ccncc1F)C(C)C
InChIInChI=1S/C13H19FN2O2/c1-4-18-8-12(9(2)3)16-13(17)10-5-6-15-7-11(10)14/h5-7,9,12H,4,8H2,1-3H3,(H,16,17)
InChIKeyFBACOPVSHMTSQG-UHFFFAOYSA-N
MW254.30 g/mol
LogP2.01
Rot. Bonds6

About N-(1-ethoxy-3-methylbutan-2-yl)-3-fluoropyridine-4-carboxamide

N-(1-ethoxy-3-methylbutan-2-yl)-3-fluoropyridine-4-carboxamide (PubChem CID 103274823) has the molecular formula C13H19FN2O2 and a molecular weight of 254.30 g/mol. Its IUPAC name is N-(1-ethoxy-3-methylbutan-2-yl)-3-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1-ethoxy-3-methylbutan-2-yl)-3-fluoropyridine-4-carboxamide
PubChem CID103274823
Molecular FormulaC13H19FN2O2
Molecular Weight254.30 g/mol
Exact Mass254.14
IUPAC NameN-(1-ethoxy-3-methylbutan-2-yl)-3-fluoropyridine-4-carboxamide
SMILESCCOCC(NC(=O)c1ccncc1F)C(C)C
InChIInChI=1S/C13H19FN2O2/c1-4-18-8-12(9(2)3)16-13(17)10-5-6-15-7-11(10)14/h5-7,9,12H,4,8H2,1-3H3,(H,16,17)
InChIKeyFBACOPVSHMTSQG-UHFFFAOYSA-N
XLogP2.01
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(dimethylamino)-3-methylbutan-2-yl]-3-fluoropyridine-4-carboxamide
CID 115646512
2-bromo-N-(1-ethoxy-3-methylbutan-2-yl)-3-fluorobenzamide
CID 114113916
N-(5-bromopentan-2-yl)-3-fluoropyridine-4-carboxamide
CID 114316575
N-[1-(diethylamino)propan-2-yl]-3-fluoropyridine-4-carboxamide
CID 115646514
N-(4-bromo-1-methoxybutan-2-yl)-3-fluoropyridine-4-carboxamide
CID 106155981
4-(18F)fluoro-N-propan-2-ylpyridine-3-carboxamide
CID 172512860
2-bromo-5-chloro-N-(1-ethoxy-3-methylbutan-2-yl)benzamide
CID 103278099
3-fluoro-N-(2-methylbutyl)pyridine-4-carboxamide
CID 105066570
3-fluoro-N-[3-oxo-3-(propan-2-ylamino)propyl]pyridine-4-carboxamide
CID 115646316
N-(1-ethoxy-3-methylbutan-2-yl)-5-hydroxypyridine-3-carboxamide
CID 103282636
4-chloro-N-(2-methylpentan-3-yl)pyridine-3-carboxamide
CID 81226748
3-fluoro-N-[2-(2-methylpropanoylamino)ethyl]pyridine-4-carboxamide
CID 115645511

Frequently Asked Questions

What is the IUPAC name of N-(1-ethoxy-3-methylbutan-2-yl)-3-fluoropyridine-4-carboxamide?
The IUPAC name of N-(1-ethoxy-3-methylbutan-2-yl)-3-fluoropyridine-4-carboxamide (CID 103274823) is N-(1-ethoxy-3-methylbutan-2-yl)-3-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-(1-ethoxy-3-methylbutan-2-yl)-3-fluoropyridine-4-carboxamide?
The canonical SMILES for N-(1-ethoxy-3-methylbutan-2-yl)-3-fluoropyridine-4-carboxamide is CCOCC(NC(=O)c1ccncc1F)C(C)C.
What is the InChIKey of N-(1-ethoxy-3-methylbutan-2-yl)-3-fluoropyridine-4-carboxamide?
The InChIKey is FBACOPVSHMTSQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-4-18-8-12(9(2)3)16-13(17)10-5-6-15-7-11(10)14/h5-7,9,12H,4,8H2,1-3H3,(H,16,17).
What are the key properties of N-(1-ethoxy-3-methylbutan-2-yl)-3-fluoropyridine-4-carboxamide?
N-(1-ethoxy-3-methylbutan-2-yl)-3-fluoropyridine-4-carboxamide has a molecular weight of 254.30 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethoxy-3-methylbutan-2-yl)-3-fluoropyridine-4-carboxamide is sourced from PubChem (CID 103274823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).