5-fluoro-N-[3-(methylaminomethyl)phenyl]pyridine-3-carboxamide

C14H14FN3O — CID 115736760

IUPAC5-fluoro-N-[3-(methylaminomethyl)phenyl]pyridine-3-carboxamide
SMILESCNCc1cccc(NC(=O)c2cncc(F)c2)c1
InChIInChI=1S/C14H14FN3O/c1-16-7-10-3-2-4-13(5-10)18-14(19)11-6-12(15)9-17-8-11/h2-6,8-9,16H,7H2,1H3,(H,18,19)
InChIKeySBRJGIWLILACJG-UHFFFAOYSA-N
MW259.28 g/mol
LogP2.19
Rot. Bonds4

About 5-fluoro-N-[3-(methylaminomethyl)phenyl]pyridine-3-carboxamide

5-fluoro-N-[3-(methylaminomethyl)phenyl]pyridine-3-carboxamide (PubChem CID 115736760) has the molecular formula C14H14FN3O and a molecular weight of 259.28 g/mol. Its IUPAC name is 5-fluoro-N-[3-(methylaminomethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[3-(methylaminomethyl)phenyl]pyridine-3-carboxamide
PubChem CID115736760
Molecular FormulaC14H14FN3O
Molecular Weight259.28 g/mol
Exact Mass259.11
IUPAC Name5-fluoro-N-[3-(methylaminomethyl)phenyl]pyridine-3-carboxamide
SMILESCNCc1cccc(NC(=O)c2cncc(F)c2)c1
InChIInChI=1S/C14H14FN3O/c1-16-7-10-3-2-4-13(5-10)18-14(19)11-6-12(15)9-17-8-11/h2-6,8-9,16H,7H2,1H3,(H,18,19)
InChIKeySBRJGIWLILACJG-UHFFFAOYSA-N
XLogP2.19
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,4,5-trifluoro-N-[3-(methylaminomethyl)phenyl]benzamide
CID 63186754
5-fluoro-N-(3-hydroxyphenyl)pyridine-3-carboxamide
CID 113287958
2,6-difluoro-N-[3-(methylaminomethyl)phenyl]benzamide
CID 43601976
4-ethyl-N-[3-(methylaminomethyl)phenyl]benzamide
CID 43601942
5-fluoro-2-hydroxy-N-[3-(methylaminomethyl)phenyl]benzamide
CID 115299348
2-[3-[(5-fluoropyridine-3-carbonyl)amino]phenoxy]acetic acid
CID 104785523
N-[3-[(3-cyanobicyclo[3.1.0]hexane-3-carbonyl)amino]phenyl]-5-fluoropyridine-3-carboxamide
CID 167893876
3-hydroxy-4-methyl-N-[3-(methylaminomethyl)phenyl]benzamide
CID 43601854
5-methyl-N-[3-(methylaminomethyl)phenyl]pyrazine-2-carboxamide
CID 43601855
4-ethoxy-N-[3-(methylaminomethyl)phenyl]benzamide
CID 43601985
N-(3-fluorophenyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109235741
N-[4-(2-aminoethyl)phenyl]-5-fluoropyridine-3-carboxamide
CID 104785334

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[3-(methylaminomethyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 5-fluoro-N-[3-(methylaminomethyl)phenyl]pyridine-3-carboxamide (CID 115736760) is 5-fluoro-N-[3-(methylaminomethyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-fluoro-N-[3-(methylaminomethyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 5-fluoro-N-[3-(methylaminomethyl)phenyl]pyridine-3-carboxamide is CNCc1cccc(NC(=O)c2cncc(F)c2)c1.
What is the InChIKey of 5-fluoro-N-[3-(methylaminomethyl)phenyl]pyridine-3-carboxamide?
The InChIKey is SBRJGIWLILACJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O/c1-16-7-10-3-2-4-13(5-10)18-14(19)11-6-12(15)9-17-8-11/h2-6,8-9,16H,7H2,1H3,(H,18,19).
What are the key properties of 5-fluoro-N-[3-(methylaminomethyl)phenyl]pyridine-3-carboxamide?
5-fluoro-N-[3-(methylaminomethyl)phenyl]pyridine-3-carboxamide has a molecular weight of 259.28 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[3-(methylaminomethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 115736760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).