3-fluoro-N-methyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide

C13H12FN3O — CID 113240917

IUPAC3-fluoro-N-methyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
SMILESCN(Cc1cccnc1)C(=O)c1ccncc1F
InChIInChI=1S/C13H12FN3O/c1-17(9-10-3-2-5-15-7-10)13(18)11-4-6-16-8-12(11)14/h2-8H,9H2,1H3
InChIKeyBDNRWFLVNYIYEM-UHFFFAOYSA-N
MW245.26 g/mol
LogP1.89
Rot. Bonds3

About 3-fluoro-N-methyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide

3-fluoro-N-methyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide (PubChem CID 113240917) has the molecular formula C13H12FN3O and a molecular weight of 245.26 g/mol. Its IUPAC name is 3-fluoro-N-methyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-methyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
PubChem CID113240917
Molecular FormulaC13H12FN3O
Molecular Weight245.26 g/mol
Exact Mass245.10
IUPAC Name3-fluoro-N-methyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
SMILESCN(Cc1cccnc1)C(=O)c1ccncc1F
InChIInChI=1S/C13H12FN3O/c1-17(9-10-3-2-5-15-7-10)13(18)11-4-6-16-8-12(11)14/h2-8H,9H2,1H3
InChIKeyBDNRWFLVNYIYEM-UHFFFAOYSA-N
XLogP1.89
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2-fluoro-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 43401146
N-[[3-(aminomethyl)phenyl]methyl]-3-fluoro-N-methylpyridine-4-carboxamide
CID 64949261
N-[(4-chloro-3-fluorophenyl)methyl]-3-fluoro-N-methylpyridine-4-carboxamide
CID 118740695
2-amino-4-fluoro-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 63109669
2-iodo-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 47097163
2-hydrazinyl-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 62243618
N-[(2,3-dichlorophenyl)methyl]-3-fluoro-N-methylpyridine-4-carboxamide
CID 115645448
3-fluoro-N,N-dimethylpyridine-4-carboxamide
CID 64950687
2-bromo-N,3-dimethyl-N-(pyridin-3-ylmethyl)benzamide
CID 103852811
N-methyl-N-(pyridin-3-ylmethyl)quinoline-8-carboxamide
CID 39948382
5-fluoro-N-methyl-2-nitro-N-(pyridin-3-ylmethyl)benzamide
CID 60876600
N-[(4-bromothiophen-2-yl)methyl]-3-fluoro-N-methylpyridine-4-carboxamide
CID 64950094

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-methyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-N-methyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide (CID 113240917) is 3-fluoro-N-methyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-N-methyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-N-methyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide is CN(Cc1cccnc1)C(=O)c1ccncc1F.
What is the InChIKey of 3-fluoro-N-methyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide?
The InChIKey is BDNRWFLVNYIYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O/c1-17(9-10-3-2-5-15-7-10)13(18)11-4-6-16-8-12(11)14/h2-8H,9H2,1H3.
What are the key properties of 3-fluoro-N-methyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide?
3-fluoro-N-methyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide has a molecular weight of 245.26 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-methyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide is sourced from PubChem (CID 113240917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).