2-fluoro-N-(3-methylpent-4-enyl)pyridine-4-carboxamide

C12H15FN2O — CID 163636517

IUPAC2-fluoro-N-(3-methylpent-4-enyl)pyridine-4-carboxamide
SMILESC=CC(C)CCNC(=O)c1ccnc(F)c1
InChIInChI=1S/C12H15FN2O/c1-3-9(2)4-6-15-12(16)10-5-7-14-11(13)8-10/h3,5,7-9H,1,4,6H2,2H3,(H,15,16)
InChIKeyIAOQGCFCTNKUTQ-UHFFFAOYSA-N
MW222.26 g/mol
LogP2.16
Rot. Bonds5

About 2-fluoro-N-(3-methylpent-4-enyl)pyridine-4-carboxamide

2-fluoro-N-(3-methylpent-4-enyl)pyridine-4-carboxamide (PubChem CID 163636517) has the molecular formula C12H15FN2O and a molecular weight of 222.26 g/mol. Its IUPAC name is 2-fluoro-N-(3-methylpent-4-enyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-fluoro-N-(3-methylpent-4-enyl)pyridine-4-carboxamide
PubChem CID163636517
Molecular FormulaC12H15FN2O
Molecular Weight222.26 g/mol
Exact Mass222.12
IUPAC Name2-fluoro-N-(3-methylpent-4-enyl)pyridine-4-carboxamide
SMILESC=CC(C)CCNC(=O)c1ccnc(F)c1
InChIInChI=1S/C12H15FN2O/c1-3-9(2)4-6-15-12(16)10-5-7-14-11(13)8-10/h3,5,7-9H,1,4,6H2,2H3,(H,15,16)
InChIKeyIAOQGCFCTNKUTQ-UHFFFAOYSA-N
XLogP2.16
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 52.16
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

2-fluoro-N-(4-methylpentyl)pyridine-4-carboxamide
CID 61293855
2-fluoro-N-[3-oxo-3-(propan-2-ylamino)propyl]pyridine-4-carboxamide
CID 113228858
2-fluoro-N-[2-[methyl(propan-2-yl)amino]ethyl]pyridine-4-carboxamide
CID 62641304
N-[2-(dimethylamino)ethyl]-2-fluoropyridine-4-carboxamide
CID 61294521
2-fluoro-N-pent-4-en-2-ylpyridine-4-carboxamide
CID 115631310
2-fluoro-N-(3-hydroxy-2-methylpropyl)pyridine-4-carboxamide
CID 65036628
N-[3-(diethylamino)-3-oxopropyl]-2-fluoropyridine-4-carboxamide
CID 61292893
2-fluoro-N-(4-methylsulfanylbutyl)pyridine-4-carboxamide
CID 115635789
N-(3-ethoxypropyl)-2-fluoropyridine-4-carboxamide
CID 61292678
2-fluoro-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide
CID 61293980
methyl 2-[(2-fluoropyridine-4-carbonyl)amino]acetate
CID 61292675
2-fluoro-N-(2-hydroxy-2-methylpropyl)pyridine-4-carboxamide
CID 65106911

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(3-methylpent-4-enyl)pyridine-4-carboxamide?
The IUPAC name of 2-fluoro-N-(3-methylpent-4-enyl)pyridine-4-carboxamide (CID 163636517) is 2-fluoro-N-(3-methylpent-4-enyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-fluoro-N-(3-methylpent-4-enyl)pyridine-4-carboxamide?
The canonical SMILES for 2-fluoro-N-(3-methylpent-4-enyl)pyridine-4-carboxamide is C=CC(C)CCNC(=O)c1ccnc(F)c1.
What is the InChIKey of 2-fluoro-N-(3-methylpent-4-enyl)pyridine-4-carboxamide?
The InChIKey is IAOQGCFCTNKUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O/c1-3-9(2)4-6-15-12(16)10-5-7-14-11(13)8-10/h3,5,7-9H,1,4,6H2,2H3,(H,15,16).
What are the key properties of 2-fluoro-N-(3-methylpent-4-enyl)pyridine-4-carboxamide?
2-fluoro-N-(3-methylpent-4-enyl)pyridine-4-carboxamide has a molecular weight of 222.26 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(3-methylpent-4-enyl)pyridine-4-carboxamide is sourced from PubChem (CID 163636517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).