3-fluoro-N-[3-oxo-3-(propylamino)propyl]pyridine-4-carboxamide

C12H16FN3O2 — CID 115646395

IUPAC3-fluoro-N-[3-oxo-3-(propylamino)propyl]pyridine-4-carboxamide
SMILESCCCNC(=O)CCNC(=O)c1ccncc1F
InChIInChI=1S/C12H16FN3O2/c1-2-5-15-11(17)4-7-16-12(18)9-3-6-14-8-10(9)13/h3,6,8H,2,4-5,7H2,1H3,(H,15,17)(H,16,18)
InChIKeyRRWSTPWATOTMTG-UHFFFAOYSA-N
MW253.28 g/mol
LogP0.87
Rot. Bonds6

About 3-fluoro-N-[3-oxo-3-(propylamino)propyl]pyridine-4-carboxamide

3-fluoro-N-[3-oxo-3-(propylamino)propyl]pyridine-4-carboxamide (PubChem CID 115646395) has the molecular formula C12H16FN3O2 and a molecular weight of 253.28 g/mol. Its IUPAC name is 3-fluoro-N-[3-oxo-3-(propylamino)propyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-[3-oxo-3-(propylamino)propyl]pyridine-4-carboxamide
PubChem CID115646395
Molecular FormulaC12H16FN3O2
Molecular Weight253.28 g/mol
Exact Mass253.12
IUPAC Name3-fluoro-N-[3-oxo-3-(propylamino)propyl]pyridine-4-carboxamide
SMILESCCCNC(=O)CCNC(=O)c1ccncc1F
InChIInChI=1S/C12H16FN3O2/c1-2-5-15-11(17)4-7-16-12(18)9-3-6-14-8-10(9)13/h3,6,8H,2,4-5,7H2,1H3,(H,15,17)(H,16,18)
InChIKeyRRWSTPWATOTMTG-UHFFFAOYSA-N
XLogP0.87
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-N-[2-(propylamino)ethyl]pyridine-4-carboxamide
CID 64951481
3-fluoro-N-[3-oxo-3-(propan-2-ylamino)propyl]pyridine-4-carboxamide
CID 115646316
N-[3-oxo-3-(propylamino)propyl]-4-(propylamino)pyridine-3-carboxamide
CID 81237252
3-fluoro-N-methyl-N-[2-oxo-2-(propylamino)ethyl]pyridine-4-carboxamide
CID 113240790
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-2-(methylamino)-N-[3-oxo-3-(propylamino)propyl]pyridine-4-carboxamide
CID 105385761
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

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[3-oxo-3-(propylamino)propyl]pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-N-[3-oxo-3-(propylamino)propyl]pyridine-4-carboxamide (CID 115646395) is 3-fluoro-N-[3-oxo-3-(propylamino)propyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-N-[3-oxo-3-(propylamino)propyl]pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-N-[3-oxo-3-(propylamino)propyl]pyridine-4-carboxamide is CCCNC(=O)CCNC(=O)c1ccncc1F.
What is the InChIKey of 3-fluoro-N-[3-oxo-3-(propylamino)propyl]pyridine-4-carboxamide?
The InChIKey is RRWSTPWATOTMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O2/c1-2-5-15-11(17)4-7-16-12(18)9-3-6-14-8-10(9)13/h3,6,8H,2,4-5,7H2,1H3,(H,15,17)(H,16,18).
What are the key properties of 3-fluoro-N-[3-oxo-3-(propylamino)propyl]pyridine-4-carboxamide?
3-fluoro-N-[3-oxo-3-(propylamino)propyl]pyridine-4-carboxamide has a molecular weight of 253.28 g/mol, XLogP of 0.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[3-oxo-3-(propylamino)propyl]pyridine-4-carboxamide is sourced from PubChem (CID 115646395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).