3-fluoro-N-[2-(propylamino)ethyl]pyridine-4-carboxamide

C11H16FN3O — CID 64951481

IUPAC3-fluoro-N-[2-(propylamino)ethyl]pyridine-4-carboxamide
SMILESCCCNCCNC(=O)c1ccncc1F
InChIInChI=1S/C11H16FN3O/c1-2-4-13-6-7-15-11(16)9-3-5-14-8-10(9)12/h3,5,8,13H,2,4,6-7H2,1H3,(H,15,16)
InChIKeyRHLRSHCZWDCNMR-UHFFFAOYSA-N
MW225.27 g/mol
LogP0.95
Rot. Bonds6

About 3-fluoro-N-[2-(propylamino)ethyl]pyridine-4-carboxamide

3-fluoro-N-[2-(propylamino)ethyl]pyridine-4-carboxamide (PubChem CID 64951481) has the molecular formula C11H16FN3O and a molecular weight of 225.27 g/mol. Its IUPAC name is 3-fluoro-N-[2-(propylamino)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-[2-(propylamino)ethyl]pyridine-4-carboxamide
PubChem CID64951481
Molecular FormulaC11H16FN3O
Molecular Weight225.27 g/mol
Exact Mass225.13
IUPAC Name3-fluoro-N-[2-(propylamino)ethyl]pyridine-4-carboxamide
SMILESCCCNCCNC(=O)c1ccncc1F
InChIInChI=1S/C11H16FN3O/c1-2-4-13-6-7-15-11(16)9-3-5-14-8-10(9)12/h3,5,8,13H,2,4,6-7H2,1H3,(H,15,16)
InChIKeyRHLRSHCZWDCNMR-UHFFFAOYSA-N
XLogP0.95
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-N-[3-oxo-3-(propylamino)propyl]pyridine-4-carboxamide
CID 115646395
3-fluoro-N-[2-(2-methylpropanoylamino)ethyl]pyridine-4-carboxamide
CID 115645511
N-[2-[ethyl(propyl)amino]ethyl]-3-fluoropyridine-4-carboxamide
CID 113247671
3-fluoro-N-(3-hydroxypropyl)pyridine-4-carboxamide
CID 64950514
3-fluoro-N-(2-methylsulfinylethyl)pyridine-4-carboxamide
CID 115646483
3-fluoro-N-(5-hydroxypentyl)pyridine-4-carboxamide
CID 107317148
3-fluoro-N-(3-methylsulfinylpropyl)pyridine-4-carboxamide
CID 115646493
N-(2,2-dimethylpropyl)-3-fluoropyridine-4-carboxamide
CID 115646049
3-fluoro-N-(2-methylbutyl)pyridine-4-carboxamide
CID 105066570
4-bromo-2-fluoro-N-[2-(propylamino)ethyl]benzamide
CID 62659198
3-fluoro-N-[3-oxo-3-(propan-2-ylamino)propyl]pyridine-4-carboxamide
CID 115646316
N-[2-ethyl-2-(hydroxymethyl)butyl]-3-fluoropyridine-4-carboxamide
CID 113331537

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-(propylamino)ethyl]pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-N-[2-(propylamino)ethyl]pyridine-4-carboxamide (CID 64951481) is 3-fluoro-N-[2-(propylamino)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-N-[2-(propylamino)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-N-[2-(propylamino)ethyl]pyridine-4-carboxamide is CCCNCCNC(=O)c1ccncc1F.
What is the InChIKey of 3-fluoro-N-[2-(propylamino)ethyl]pyridine-4-carboxamide?
The InChIKey is RHLRSHCZWDCNMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O/c1-2-4-13-6-7-15-11(16)9-3-5-14-8-10(9)12/h3,5,8,13H,2,4,6-7H2,1H3,(H,15,16).
What are the key properties of 3-fluoro-N-[2-(propylamino)ethyl]pyridine-4-carboxamide?
3-fluoro-N-[2-(propylamino)ethyl]pyridine-4-carboxamide has a molecular weight of 225.27 g/mol, XLogP of 0.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-(propylamino)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 64951481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).