N-[cyano(pyridin-2-yl)methyl]-3-fluorobenzamide

C14H10FN3O — CID 82120265

IUPACN-[cyano(pyridin-2-yl)methyl]-3-fluorobenzamide
SMILESN#CC(NC(=O)c1cccc(F)c1)c1ccccn1
InChIInChI=1S/C14H10FN3O/c15-11-5-3-4-10(8-11)14(19)18-13(9-16)12-6-1-2-7-17-12/h1-8,13H,(H,18,19)
InChIKeyIQHDITDRAHIEDV-UHFFFAOYSA-N
MW255.25 g/mol
LogP2.22
Rot. Bonds3

About N-[cyano(pyridin-2-yl)methyl]-3-fluorobenzamide

N-[cyano(pyridin-2-yl)methyl]-3-fluorobenzamide (PubChem CID 82120265) has the molecular formula C14H10FN3O and a molecular weight of 255.25 g/mol. Its IUPAC name is N-[cyano(pyridin-2-yl)methyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[cyano(pyridin-2-yl)methyl]-3-fluorobenzamide
PubChem CID82120265
Molecular FormulaC14H10FN3O
Molecular Weight255.25 g/mol
Exact Mass255.08
IUPAC NameN-[cyano(pyridin-2-yl)methyl]-3-fluorobenzamide
SMILESN#CC(NC(=O)c1cccc(F)c1)c1ccccn1
InChIInChI=1S/C14H10FN3O/c15-11-5-3-4-10(8-11)14(19)18-13(9-16)12-6-1-2-7-17-12/h1-8,13H,(H,18,19)
InChIKeyIQHDITDRAHIEDV-UHFFFAOYSA-N
XLogP2.22
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[cyano(pyridin-2-yl)methyl]-3-methoxybenzamide
CID 82122992
N-[cyano-(2-methylphenyl)methyl]-3-fluorobenzamide
CID 82123284
N-[cyano-(4-methylphenyl)methyl]-3-fluorobenzamide
CID 82123290
N-[cyano(pyridin-2-yl)methyl]-2,2-dimethylpropanamide
CID 82113909
N-[cyano(pyridin-2-yl)methyl]-3-methylbutanamide
CID 82113908
N-[cyano-(4-fluorophenyl)methyl]benzamide
CID 78631246
N-[cyano-(4-fluorophenyl)methyl]-3-methylbenzamide
CID 78631291
3-fluoro-N-[(S)-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]benzamide
CID 92572784
N-[(R)-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-3-fluorobenzamide
CID 92577278
3-(2,4-difluorophenyl)-3-oxo-2-pyridin-2-ylpropanenitrile
CID 71628511
N-[(R)-cyano-(4-fluorophenyl)methyl]-3-methoxybenzamide
CID 9246130
N-[(S)-[(3S)-1-[(2,3-difluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-3-fluorobenzamide
CID 92577245

Frequently Asked Questions

What is the IUPAC name of N-[cyano(pyridin-2-yl)methyl]-3-fluorobenzamide?
The IUPAC name of N-[cyano(pyridin-2-yl)methyl]-3-fluorobenzamide (CID 82120265) is N-[cyano(pyridin-2-yl)methyl]-3-fluorobenzamide.
What is the SMILES notation for N-[cyano(pyridin-2-yl)methyl]-3-fluorobenzamide?
The canonical SMILES for N-[cyano(pyridin-2-yl)methyl]-3-fluorobenzamide is N#CC(NC(=O)c1cccc(F)c1)c1ccccn1.
What is the InChIKey of N-[cyano(pyridin-2-yl)methyl]-3-fluorobenzamide?
The InChIKey is IQHDITDRAHIEDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O/c15-11-5-3-4-10(8-11)14(19)18-13(9-16)12-6-1-2-7-17-12/h1-8,13H,(H,18,19).
What are the key properties of N-[cyano(pyridin-2-yl)methyl]-3-fluorobenzamide?
N-[cyano(pyridin-2-yl)methyl]-3-fluorobenzamide has a molecular weight of 255.25 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyano(pyridin-2-yl)methyl]-3-fluorobenzamide is sourced from PubChem (CID 82120265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).