5-cyclobutyl-N-[(3-fluoro-2-pyridinyl)methyl]pyridine-3-carboxamide

C16H16FN3O — CID 161058919

IUPAC5-cyclobutyl-N-[(3-fluoro-2-pyridinyl)methyl]pyridine-3-carboxamide
SMILESO=C(NCc1ncccc1F)c1cncc(C2CCC2)c1
InChIInChI=1S/C16H16FN3O/c17-14-5-2-6-19-15(14)10-20-16(21)13-7-12(8-18-9-13)11-3-1-4-11/h2,5-9,11H,1,3-4,10H2,(H,20,21)
InChIKeyUDDBRIFPAFPXFK-UHFFFAOYSA-N
MW285.32 g/mol
LogP2.81
Rot. Bonds4

About 5-cyclobutyl-N-[(3-fluoro-2-pyridinyl)methyl]pyridine-3-carboxamide

5-cyclobutyl-N-[(3-fluoro-2-pyridinyl)methyl]pyridine-3-carboxamide (PubChem CID 161058919) has the molecular formula C16H16FN3O and a molecular weight of 285.32 g/mol. Its IUPAC name is 5-cyclobutyl-N-[(3-fluoro-2-pyridinyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-cyclobutyl-N-[(3-fluoro-2-pyridinyl)methyl]pyridine-3-carboxamide
PubChem CID161058919
Molecular FormulaC16H16FN3O
Molecular Weight285.32 g/mol
Exact Mass285.13
IUPAC Name5-cyclobutyl-N-[(3-fluoro-2-pyridinyl)methyl]pyridine-3-carboxamide
SMILESO=C(NCc1ncccc1F)c1cncc(C2CCC2)c1
InChIInChI=1S/C16H16FN3O/c17-14-5-2-6-19-15(14)10-20-16(21)13-7-12(8-18-9-13)11-3-1-4-11/h2,5-9,11H,1,3-4,10H2,(H,20,21)
InChIKeyUDDBRIFPAFPXFK-UHFFFAOYSA-N
XLogP2.81
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]pyridine-3-carboxamide;hydrochloride
CID 129052585
N-[(3-ethyl-2-pyridinyl)methyl]-5-hydroxypyridine-3-carboxamide
CID 82739232
2-chloro-N-[(5-cyclopropyl-3-pyridinyl)methyl]-6-fluorobenzamide
CID 122246847
5-N-[(2-fluorophenyl)methyl]-3-N-(pyridin-4-ylmethyl)pyridine-3,5-dicarboxamide
CID 109105507
5-(2,3-difluorophenyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 42845828
2,4-dichloro-N-[(3-fluoro-2-pyridinyl)methyl]-6-hydroxybenzamide
CID 71967685
5-N-(2-fluorophenyl)-3-N-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109105942
N-[(3-fluoro-2-pyridinyl)methyl]-4-[4-[(3R)-3-methylpiperidin-1-yl]piperidine-1-carbonyl]benzamide
CID 118182069
2-(azetidin-3-yl)-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 129052163
4-fluoro-3-methyl-N-[(3-methyl-2-pyridinyl)methyl]benzamide
CID 55205389
N-[(3-fluoro-2-pyridinyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 166179922
5-N-(2,6-difluorophenyl)-3-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide
CID 109106084

Frequently Asked Questions

What is the IUPAC name of 5-cyclobutyl-N-[(3-fluoro-2-pyridinyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 5-cyclobutyl-N-[(3-fluoro-2-pyridinyl)methyl]pyridine-3-carboxamide (CID 161058919) is 5-cyclobutyl-N-[(3-fluoro-2-pyridinyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-cyclobutyl-N-[(3-fluoro-2-pyridinyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 5-cyclobutyl-N-[(3-fluoro-2-pyridinyl)methyl]pyridine-3-carboxamide is O=C(NCc1ncccc1F)c1cncc(C2CCC2)c1.
What is the InChIKey of 5-cyclobutyl-N-[(3-fluoro-2-pyridinyl)methyl]pyridine-3-carboxamide?
The InChIKey is UDDBRIFPAFPXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O/c17-14-5-2-6-19-15(14)10-20-16(21)13-7-12(8-18-9-13)11-3-1-4-11/h2,5-9,11H,1,3-4,10H2,(H,20,21).
What are the key properties of 5-cyclobutyl-N-[(3-fluoro-2-pyridinyl)methyl]pyridine-3-carboxamide?
5-cyclobutyl-N-[(3-fluoro-2-pyridinyl)methyl]pyridine-3-carboxamide has a molecular weight of 285.32 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclobutyl-N-[(3-fluoro-2-pyridinyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 161058919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).