5-fluoro-N-methyl-N-piperidin-3-ylpyridine-3-carboxamide

C12H16FN3O — CID 104786200

IUPAC5-fluoro-N-methyl-N-piperidin-3-ylpyridine-3-carboxamide
SMILESCN(C(=O)c1cncc(F)c1)C1CCCNC1
InChIInChI=1S/C12H16FN3O/c1-16(11-3-2-4-14-8-11)12(17)9-5-10(13)7-15-6-9/h5-7,11,14H,2-4,8H2,1H3
InChIKeyCRNTXRSGBFYYHY-UHFFFAOYSA-N
MW237.28 g/mol
LogP1.04
Rot. Bonds2

About 5-fluoro-N-methyl-N-piperidin-3-ylpyridine-3-carboxamide

5-fluoro-N-methyl-N-piperidin-3-ylpyridine-3-carboxamide (PubChem CID 104786200) has the molecular formula C12H16FN3O and a molecular weight of 237.28 g/mol. Its IUPAC name is 5-fluoro-N-methyl-N-piperidin-3-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-methyl-N-piperidin-3-ylpyridine-3-carboxamide
PubChem CID104786200
Molecular FormulaC12H16FN3O
Molecular Weight237.28 g/mol
Exact Mass237.13
IUPAC Name5-fluoro-N-methyl-N-piperidin-3-ylpyridine-3-carboxamide
SMILESCN(C(=O)c1cncc(F)c1)C1CCCNC1
InChIInChI=1S/C12H16FN3O/c1-16(11-3-2-4-14-8-11)12(17)9-5-10(13)7-15-6-9/h5-7,11,14H,2-4,8H2,1H3
InChIKeyCRNTXRSGBFYYHY-UHFFFAOYSA-N
XLogP1.04
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-hydroxy-N-methyl-N-piperidin-3-ylpyridine-3-carboxamide
CID 63850199
3-fluoro-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 60805996
N-methyl-5-phenyl-N-pyrrolidin-3-ylpyridine-3-carboxamide
CID 119552362
N-methyl-N-piperidin-3-yl-1H-pyrazole-4-carboxamide
CID 60806877
3-fluoro-N,4-dimethyl-N-piperidin-3-ylbenzamide
CID 60807217
N-methyl-5-phenyl-N-pyrrolidin-3-ylpyridine-3-carboxamide;dihydrochloride
CID 119552361
2,6-difluoro-N-methyl-N-piperidin-3-ylbenzamide
CID 60806728
5-fluoro-N,2-dimethyl-N-piperidin-3-ylbenzamide
CID 55228435
3,5-dimethoxy-N-methyl-N-piperidin-3-ylbenzamide
CID 60807213
2-bromo-4-fluoro-N-methyl-N-piperidin-3-ylbenzamide
CID 63641753
N,3-dimethyl-N-piperidin-3-ylbenzamide
CID 60807215
N-methyl-N-pyrrolidin-3-ylpyridine-4-carboxamide;dihydrochloride
CID 119551120

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-methyl-N-piperidin-3-ylpyridine-3-carboxamide?
The IUPAC name of 5-fluoro-N-methyl-N-piperidin-3-ylpyridine-3-carboxamide (CID 104786200) is 5-fluoro-N-methyl-N-piperidin-3-ylpyridine-3-carboxamide.
What is the SMILES notation for 5-fluoro-N-methyl-N-piperidin-3-ylpyridine-3-carboxamide?
The canonical SMILES for 5-fluoro-N-methyl-N-piperidin-3-ylpyridine-3-carboxamide is CN(C(=O)c1cncc(F)c1)C1CCCNC1.
What is the InChIKey of 5-fluoro-N-methyl-N-piperidin-3-ylpyridine-3-carboxamide?
The InChIKey is CRNTXRSGBFYYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O/c1-16(11-3-2-4-14-8-11)12(17)9-5-10(13)7-15-6-9/h5-7,11,14H,2-4,8H2,1H3.
What are the key properties of 5-fluoro-N-methyl-N-piperidin-3-ylpyridine-3-carboxamide?
5-fluoro-N-methyl-N-piperidin-3-ylpyridine-3-carboxamide has a molecular weight of 237.28 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-methyl-N-piperidin-3-ylpyridine-3-carboxamide is sourced from PubChem (CID 104786200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).