3-fluoro-N-(2-hydroxyethyl)-N-prop-2-enylpyridine-4-carboxamide

C11H13FN2O2 — CID 115775734

IUPAC3-fluoro-N-(2-hydroxyethyl)-N-prop-2-enylpyridine-4-carboxamide
SMILESC=CCN(CCO)C(=O)c1ccncc1F
InChIInChI=1S/C11H13FN2O2/c1-2-5-14(6-7-15)11(16)9-3-4-13-8-10(9)12/h2-4,8,15H,1,5-7H2
InChIKeyMXQXCDRVLJLDEN-UHFFFAOYSA-N
MW224.24 g/mol
LogP0.84
Rot. Bonds5

About 3-fluoro-N-(2-hydroxyethyl)-N-prop-2-enylpyridine-4-carboxamide

3-fluoro-N-(2-hydroxyethyl)-N-prop-2-enylpyridine-4-carboxamide (PubChem CID 115775734) has the molecular formula C11H13FN2O2 and a molecular weight of 224.24 g/mol. Its IUPAC name is 3-fluoro-N-(2-hydroxyethyl)-N-prop-2-enylpyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-(2-hydroxyethyl)-N-prop-2-enylpyridine-4-carboxamide
PubChem CID115775734
Molecular FormulaC11H13FN2O2
Molecular Weight224.24 g/mol
Exact Mass224.10
IUPAC Name3-fluoro-N-(2-hydroxyethyl)-N-prop-2-enylpyridine-4-carboxamide
SMILESC=CCN(CCO)C(=O)c1ccncc1F
InChIInChI=1S/C11H13FN2O2/c1-2-5-14(6-7-15)11(16)9-3-4-13-8-10(9)12/h2-4,8,15H,1,5-7H2
InChIKeyMXQXCDRVLJLDEN-UHFFFAOYSA-N
XLogP0.84
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.24
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-N,N-bis(2-hydroxyethyl)pyridine-4-carboxamide
CID 64950885
2,3,4,5-tetrafluoro-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide
CID 115775854
3-hydroxy-N,N-bis(prop-2-enyl)pyridine-4-carboxamide
CID 81443489
4-fluoro-N-(2-hydroxyethyl)-2-methyl-N-prop-2-enylbenzamide
CID 115776016
N-[2-(dimethylamino)ethyl]-3-fluoro-N-propylpyridine-4-carboxamide
CID 115646479
2,3-difluoro-N,N-bis(prop-2-enyl)pyridine-4-carboxamide
CID 105380282
3-fluoro-N,N-dimethylpyridine-4-carboxamide
CID 64950687
2,4-dihydroxy-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide
CID 113368377
2,5-dichloro-N-(2-hydroxyethyl)-N-prop-2-enylpyridine-4-carboxamide
CID 114918916
N-[3-(diethylamino)propyl]-N-ethyl-3-fluoropyridine-4-carboxamide
CID 102992706
2-bromo-4-chloro-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide
CID 103860931
4-chloro-N,N-bis(2-hydroxyethyl)pyridine-3-carboxamide
CID 81227403

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(2-hydroxyethyl)-N-prop-2-enylpyridine-4-carboxamide?
The IUPAC name of 3-fluoro-N-(2-hydroxyethyl)-N-prop-2-enylpyridine-4-carboxamide (CID 115775734) is 3-fluoro-N-(2-hydroxyethyl)-N-prop-2-enylpyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-N-(2-hydroxyethyl)-N-prop-2-enylpyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-N-(2-hydroxyethyl)-N-prop-2-enylpyridine-4-carboxamide is C=CCN(CCO)C(=O)c1ccncc1F.
What is the InChIKey of 3-fluoro-N-(2-hydroxyethyl)-N-prop-2-enylpyridine-4-carboxamide?
The InChIKey is MXQXCDRVLJLDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O2/c1-2-5-14(6-7-15)11(16)9-3-4-13-8-10(9)12/h2-4,8,15H,1,5-7H2.
What are the key properties of 3-fluoro-N-(2-hydroxyethyl)-N-prop-2-enylpyridine-4-carboxamide?
3-fluoro-N-(2-hydroxyethyl)-N-prop-2-enylpyridine-4-carboxamide has a molecular weight of 224.24 g/mol, XLogP of 0.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(2-hydroxyethyl)-N-prop-2-enylpyridine-4-carboxamide is sourced from PubChem (CID 115775734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).