2-fluoro-N-pent-4-en-2-ylpyridine-4-carboxamide

C11H13FN2O — CID 115631310

IUPAC2-fluoro-N-pent-4-en-2-ylpyridine-4-carboxamide
SMILESC=CCC(C)NC(=O)c1ccnc(F)c1
InChIInChI=1S/C11H13FN2O/c1-3-4-8(2)14-11(15)9-5-6-13-10(12)7-9/h3,5-8H,1,4H2,2H3,(H,14,15)
InChIKeyNEISSEHTFVLQQU-UHFFFAOYSA-N
MW208.24 g/mol
LogP1.92
Rot. Bonds4

About 2-fluoro-N-pent-4-en-2-ylpyridine-4-carboxamide

2-fluoro-N-pent-4-en-2-ylpyridine-4-carboxamide (PubChem CID 115631310) has the molecular formula C11H13FN2O and a molecular weight of 208.24 g/mol. Its IUPAC name is 2-fluoro-N-pent-4-en-2-ylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-fluoro-N-pent-4-en-2-ylpyridine-4-carboxamide
PubChem CID115631310
Molecular FormulaC11H13FN2O
Molecular Weight208.24 g/mol
Exact Mass208.10
IUPAC Name2-fluoro-N-pent-4-en-2-ylpyridine-4-carboxamide
SMILESC=CCC(C)NC(=O)c1ccnc(F)c1
InChIInChI=1S/C11H13FN2O/c1-3-4-8(2)14-11(15)9-5-6-13-10(12)7-9/h3,5-8H,1,4H2,2H3,(H,14,15)
InChIKeyNEISSEHTFVLQQU-UHFFFAOYSA-N
XLogP1.92
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-N-pent-4-en-2-ylbenzamide
CID 115631330
4-fluoro-N-pent-4-en-2-yl-3-sulfanylbenzamide
CID 107035149
2-fluoro-N-(3-hydroxybutan-2-yl)pyridine-4-carboxamide
CID 130993762
3,4,5-trifluoro-N-pent-4-en-2-ylbenzamide
CID 115631311
2-fluoro-N-(3-methylpent-4-enyl)pyridine-4-carboxamide
CID 163636517
methyl 2-[(2-fluoropyridine-4-carbonyl)amino]propanoate
CID 61499841
N-[1-(4-chlorophenyl)ethyl]-2-fluoropyridine-4-carboxamide
CID 61293078
3-hydroxy-4-methyl-N-pent-4-en-2-ylbenzamide
CID 115993829
2-fluoro-N-[(1S)-1-phenylethyl]pyridine-4-carboxamide
CID 113233055
3,5-dihydroxy-N-pent-4-en-2-ylbenzamide
CID 104939027
2-fluoro-N-[1-(4-methylsulfanylphenyl)ethyl]pyridine-4-carboxamide
CID 61295487
3-hydroxy-4-iodo-N-pent-4-en-2-ylbenzamide
CID 104628600

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-pent-4-en-2-ylpyridine-4-carboxamide?
The IUPAC name of 2-fluoro-N-pent-4-en-2-ylpyridine-4-carboxamide (CID 115631310) is 2-fluoro-N-pent-4-en-2-ylpyridine-4-carboxamide.
What is the SMILES notation for 2-fluoro-N-pent-4-en-2-ylpyridine-4-carboxamide?
The canonical SMILES for 2-fluoro-N-pent-4-en-2-ylpyridine-4-carboxamide is C=CCC(C)NC(=O)c1ccnc(F)c1.
What is the InChIKey of 2-fluoro-N-pent-4-en-2-ylpyridine-4-carboxamide?
The InChIKey is NEISSEHTFVLQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O/c1-3-4-8(2)14-11(15)9-5-6-13-10(12)7-9/h3,5-8H,1,4H2,2H3,(H,14,15).
What are the key properties of 2-fluoro-N-pent-4-en-2-ylpyridine-4-carboxamide?
2-fluoro-N-pent-4-en-2-ylpyridine-4-carboxamide has a molecular weight of 208.24 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-pent-4-en-2-ylpyridine-4-carboxamide is sourced from PubChem (CID 115631310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).