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

C12H16FN3O2 — CID 113240790

IUPAC3-fluoro-N-methyl-N-[2-oxo-2-(propylamino)ethyl]pyridine-4-carboxamide
SMILESCCCNC(=O)CN(C)C(=O)c1ccncc1F
InChIInChI=1S/C12H16FN3O2/c1-3-5-15-11(17)8-16(2)12(18)9-4-6-14-7-10(9)13/h4,6-7H,3,5,8H2,1-2H3,(H,15,17)
InChIKeyMPOKQGPOEWRXJY-UHFFFAOYSA-N
MW253.28 g/mol
LogP0.82
Rot. Bonds5

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

3-fluoro-N-methyl-N-[2-oxo-2-(propylamino)ethyl]pyridine-4-carboxamide (PubChem CID 113240790) has the molecular formula C12H16FN3O2 and a molecular weight of 253.28 g/mol. Its IUPAC name is 3-fluoro-N-methyl-N-[2-oxo-2-(propylamino)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-methyl-N-[2-oxo-2-(propylamino)ethyl]pyridine-4-carboxamide
PubChem CID113240790
Molecular FormulaC12H16FN3O2
Molecular Weight253.28 g/mol
Exact Mass253.12
IUPAC Name3-fluoro-N-methyl-N-[2-oxo-2-(propylamino)ethyl]pyridine-4-carboxamide
SMILESCCCNC(=O)CN(C)C(=O)c1ccncc1F
InChIInChI=1S/C12H16FN3O2/c1-3-5-15-11(17)8-16(2)12(18)9-4-6-14-7-10(9)13/h4,6-7H,3,5,8H2,1-2H3,(H,15,17)
InChIKeyMPOKQGPOEWRXJY-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

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Related Compounds

3-fluoro-N-[3-oxo-3-(propylamino)propyl]pyridine-4-carboxamide
CID 115646395
3-fluoro-N,N-dimethylpyridine-4-carboxamide
CID 64950687
3-fluoro-N-[2-(propylamino)ethyl]pyridine-4-carboxamide
CID 64951481
2-fluoro-N-methyl-N-[2-oxo-2-(propylamino)ethyl]pyridine-4-carboxamide
CID 61294360
2-[(4-carbamothioyl-3-pyridinyl)-methylamino]-N-propylacetamide
CID 113269585
N-(2-cyanoethyl)-3-fluoro-N-methylpyridine-4-carboxamide
CID 64949290
N-[2-(dimethylamino)ethyl]-3-fluoro-N-propylpyridine-4-carboxamide
CID 115646479
3-fluoro-N-methyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 113240917
3-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)pyridine-4-carboxamide
CID 64951471
2-fluoro-N-methyl-5-nitro-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 61041053
3-hydroxy-N-methyl-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide
CID 80706848
N-(3-amino-2,2-dimethylpropyl)-3-fluoro-N-methylpyridine-4-carboxamide
CID 79652581

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-methyl-N-[2-oxo-2-(propylamino)ethyl]pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-N-methyl-N-[2-oxo-2-(propylamino)ethyl]pyridine-4-carboxamide (CID 113240790) is 3-fluoro-N-methyl-N-[2-oxo-2-(propylamino)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-N-methyl-N-[2-oxo-2-(propylamino)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-N-methyl-N-[2-oxo-2-(propylamino)ethyl]pyridine-4-carboxamide is CCCNC(=O)CN(C)C(=O)c1ccncc1F.
What is the InChIKey of 3-fluoro-N-methyl-N-[2-oxo-2-(propylamino)ethyl]pyridine-4-carboxamide?
The InChIKey is MPOKQGPOEWRXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O2/c1-3-5-15-11(17)8-16(2)12(18)9-4-6-14-7-10(9)13/h4,6-7H,3,5,8H2,1-2H3,(H,15,17).
What are the key properties of 3-fluoro-N-methyl-N-[2-oxo-2-(propylamino)ethyl]pyridine-4-carboxamide?
3-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 3-fluoro-N-methyl-N-[2-oxo-2-(propylamino)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 113240790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).