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

C12H16FN3O2 — CID 61294360

IUPAC2-fluoro-N-methyl-N-[2-oxo-2-(propylamino)ethyl]pyridine-4-carboxamide
SMILESCCCNC(=O)CN(C)C(=O)c1ccnc(F)c1
InChIInChI=1S/C12H16FN3O2/c1-3-5-15-11(17)8-16(2)12(18)9-4-6-14-10(13)7-9/h4,6-7H,3,5,8H2,1-2H3,(H,15,17)
InChIKeyHNDAYADIVJUPDY-UHFFFAOYSA-N
MW253.28 g/mol
LogP0.82
Rot. Bonds5

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

2-fluoro-N-methyl-N-[2-oxo-2-(propylamino)ethyl]pyridine-4-carboxamide (PubChem CID 61294360) has the molecular formula C12H16FN3O2 and a molecular weight of 253.28 g/mol. Its IUPAC name is 2-fluoro-N-methyl-N-[2-oxo-2-(propylamino)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-fluoro-N-methyl-N-[2-oxo-2-(propylamino)ethyl]pyridine-4-carboxamide
PubChem CID61294360
Molecular FormulaC12H16FN3O2
Molecular Weight253.28 g/mol
Exact Mass253.12
IUPAC Name2-fluoro-N-methyl-N-[2-oxo-2-(propylamino)ethyl]pyridine-4-carboxamide
SMILESCCCNC(=O)CN(C)C(=O)c1ccnc(F)c1
InChIInChI=1S/C12H16FN3O2/c1-3-5-15-11(17)8-16(2)12(18)9-4-6-14-10(13)7-9/h4,6-7H,3,5,8H2,1-2H3,(H,15,17)
InChIKeyHNDAYADIVJUPDY-UHFFFAOYSA-N
XLogP0.82
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N-methyl-N-propylpyridine-4-carboxamide
CID 61293439
N-[2-(dimethylamino)ethyl]-2-fluoro-N-methylpyridine-4-carboxamide
CID 63693462
N-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 60636554
3-iodo-N-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 7972299
3,5-diamino-N-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 61115445
3-hydroxy-4-iodo-N-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 104627430
4-iodo-N-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 47097429
N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-2-fluoropyridine-4-carboxamide
CID 61292713
3-fluoro-N-methyl-N-[2-oxo-2-(propylamino)ethyl]pyridine-4-carboxamide
CID 113240790
2-fluoro-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-4-carboxamide
CID 63929110
2-fluoro-N-(5-hydroxypentyl)-N-methylpyridine-4-carboxamide
CID 107199083
N-(2-amino-2-oxoethyl)-N-ethyl-2-fluoropyridine-4-carboxamide
CID 103101741

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-methyl-N-[2-oxo-2-(propylamino)ethyl]pyridine-4-carboxamide?
The IUPAC name of 2-fluoro-N-methyl-N-[2-oxo-2-(propylamino)ethyl]pyridine-4-carboxamide (CID 61294360) is 2-fluoro-N-methyl-N-[2-oxo-2-(propylamino)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-fluoro-N-methyl-N-[2-oxo-2-(propylamino)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 2-fluoro-N-methyl-N-[2-oxo-2-(propylamino)ethyl]pyridine-4-carboxamide is CCCNC(=O)CN(C)C(=O)c1ccnc(F)c1.
What is the InChIKey of 2-fluoro-N-methyl-N-[2-oxo-2-(propylamino)ethyl]pyridine-4-carboxamide?
The InChIKey is HNDAYADIVJUPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O2/c1-3-5-15-11(17)8-16(2)12(18)9-4-6-14-10(13)7-9/h4,6-7H,3,5,8H2,1-2H3,(H,15,17).
What are the key properties of 2-fluoro-N-methyl-N-[2-oxo-2-(propylamino)ethyl]pyridine-4-carboxamide?
2-fluoro-N-methyl-N-[2-oxo-2-(propylamino)ethyl]pyridine-4-carboxamide has a molecular weight of 253.28 g/mol, XLogP of 0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-methyl-N-[2-oxo-2-(propylamino)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 61294360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).