3-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide

C14H14FN3O — CID 115646430

IUPAC3-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide
SMILESCN(CCc1ccccn1)C(=O)c1ccncc1F
InChIInChI=1S/C14H14FN3O/c1-18(9-6-11-4-2-3-7-17-11)14(19)12-5-8-16-10-13(12)15/h2-5,7-8,10H,6,9H2,1H3
InChIKeyWKWWCSQWKLQHQV-UHFFFAOYSA-N
MW259.28 g/mol
LogP1.93
Rot. Bonds4

About 3-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide

3-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide (PubChem CID 115646430) has the molecular formula C14H14FN3O and a molecular weight of 259.28 g/mol. Its IUPAC name is 3-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide
PubChem CID115646430
Molecular FormulaC14H14FN3O
Molecular Weight259.28 g/mol
Exact Mass259.11
IUPAC Name3-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide
SMILESCN(CCc1ccccn1)C(=O)c1ccncc1F
InChIInChI=1S/C14H14FN3O/c1-18(9-6-11-4-2-3-7-17-11)14(19)12-5-8-16-10-13(12)15/h2-5,7-8,10H,6,9H2,1H3
InChIKeyWKWWCSQWKLQHQV-UHFFFAOYSA-N
XLogP1.93
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-methyl-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide
CID 66463234
2-fluoro-4-hydroxy-N-methyl-N-(2-pyridin-2-ylethyl)benzamide
CID 103941324
3-fluoro-N-methyl-N-(2-phenoxyethyl)pyridine-4-carboxamide
CID 115645434
N-(2-cyanoethyl)-3-fluoro-N-methylpyridine-4-carboxamide
CID 64949290
4-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)benzamide;oxalic acid
CID 90483378
3-bromo-4-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)benzamide
CID 103707127
ethane;N-methyl-N-(2-pyridin-2-ylethyl)acetamide
CID 143678158
5,6-dichloro-N-methyl-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 60699347
3-fluoro-N,N-dimethylpyridine-4-carboxamide
CID 64950687
3-fluoro-N-methyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 113240917
2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoacetic acid
CID 43445021
6-bromo-N-methyl-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 66463680

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide (CID 115646430) is 3-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide is CN(CCc1ccccn1)C(=O)c1ccncc1F.
What is the InChIKey of 3-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide?
The InChIKey is WKWWCSQWKLQHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O/c1-18(9-6-11-4-2-3-7-17-11)14(19)12-5-8-16-10-13(12)15/h2-5,7-8,10H,6,9H2,1H3.
What are the key properties of 3-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide?
3-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide has a molecular weight of 259.28 g/mol, XLogP of 1.93, 4 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-(2-pyridin-2-ylethyl)pyridine-4-carboxamide is sourced from PubChem (CID 115646430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).