N-(1-cyanopropan-2-yl)-3-fluoro-N-methylpyridine-4-carboxamide

C11H12FN3O — CID 64949105

IUPACN-(1-cyanopropan-2-yl)-3-fluoro-N-methylpyridine-4-carboxamide
SMILESCC(CC#N)N(C)C(=O)c1ccncc1F
InChIInChI=1S/C11H12FN3O/c1-8(3-5-13)15(2)11(16)9-4-6-14-7-10(9)12/h4,6-8H,3H2,1-2H3
InChIKeyYKQUNVKWUPAGHU-UHFFFAOYSA-N
MW221.23 g/mol
LogP1.59
Rot. Bonds3

About N-(1-cyanopropan-2-yl)-3-fluoro-N-methylpyridine-4-carboxamide

N-(1-cyanopropan-2-yl)-3-fluoro-N-methylpyridine-4-carboxamide (PubChem CID 64949105) has the molecular formula C11H12FN3O and a molecular weight of 221.23 g/mol. Its IUPAC name is N-(1-cyanopropan-2-yl)-3-fluoro-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1-cyanopropan-2-yl)-3-fluoro-N-methylpyridine-4-carboxamide
PubChem CID64949105
Molecular FormulaC11H12FN3O
Molecular Weight221.23 g/mol
Exact Mass221.10
IUPAC NameN-(1-cyanopropan-2-yl)-3-fluoro-N-methylpyridine-4-carboxamide
SMILESCC(CC#N)N(C)C(=O)c1ccncc1F
InChIInChI=1S/C11H12FN3O/c1-8(3-5-13)15(2)11(16)9-4-6-14-7-10(9)12/h4,6-8H,3H2,1-2H3
InChIKeyYKQUNVKWUPAGHU-UHFFFAOYSA-N
XLogP1.59
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyanoethyl)-3-fluoro-N-methylpyridine-4-carboxamide
CID 64949290
3-fluoro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyridine-4-carboxamide
CID 115673134
3-fluoro-N,N-dimethylpyridine-4-carboxamide
CID 64950687
N-(1-cyanopropan-2-yl)-5-fluoro-N,2-dimethylbenzamide
CID 63224589
4-amino-N-(1-cyanopropan-2-yl)-3,5-difluoro-N-methylbenzamide
CID 55173776
N-(1-cyanopropan-2-yl)-3,4-difluoro-N-methylbenzamide
CID 55175707
N-[1-(2,5-difluorophenyl)ethyl]-3-fluoro-N-methylpyridine-4-carboxamide
CID 115645773
N-(1-cyanopropan-2-yl)-5-fluoro-N-methyl-2-(methylamino)pyridine-3-carboxamide
CID 114035010
N-(1-cyanopropan-2-yl)-N,2,3-trimethylbenzamide
CID 63224492
N-[2-(dimethylamino)ethyl]-3-fluoro-N-(2-methylpropyl)pyridine-4-carboxamide
CID 115646478
N-(1-cyanopropan-2-yl)-N,5-dimethyl-2-(methylamino)benzamide
CID 63228598
N-[2-(dimethylamino)ethyl]-3-fluoro-N-propylpyridine-4-carboxamide
CID 115646479

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanopropan-2-yl)-3-fluoro-N-methylpyridine-4-carboxamide?
The IUPAC name of N-(1-cyanopropan-2-yl)-3-fluoro-N-methylpyridine-4-carboxamide (CID 64949105) is N-(1-cyanopropan-2-yl)-3-fluoro-N-methylpyridine-4-carboxamide.
What is the SMILES notation for N-(1-cyanopropan-2-yl)-3-fluoro-N-methylpyridine-4-carboxamide?
The canonical SMILES for N-(1-cyanopropan-2-yl)-3-fluoro-N-methylpyridine-4-carboxamide is CC(CC#N)N(C)C(=O)c1ccncc1F.
What is the InChIKey of N-(1-cyanopropan-2-yl)-3-fluoro-N-methylpyridine-4-carboxamide?
The InChIKey is YKQUNVKWUPAGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O/c1-8(3-5-13)15(2)11(16)9-4-6-14-7-10(9)12/h4,6-8H,3H2,1-2H3.
What are the key properties of N-(1-cyanopropan-2-yl)-3-fluoro-N-methylpyridine-4-carboxamide?
N-(1-cyanopropan-2-yl)-3-fluoro-N-methylpyridine-4-carboxamide has a molecular weight of 221.23 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanopropan-2-yl)-3-fluoro-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 64949105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).