5-[butyl(methyl)amino]-N-(2-fluorophenyl)pyridine-3-carboxamide

C17H20FN3O — CID 109240389

IUPAC5-[butyl(methyl)amino]-N-(2-fluorophenyl)pyridine-3-carboxamide
SMILESCCCCN(C)c1cncc(C(=O)Nc2ccccc2F)c1
InChIInChI=1S/C17H20FN3O/c1-3-4-9-21(2)14-10-13(11-19-12-14)17(22)20-16-8-6-5-7-15(16)18/h5-8,10-12H,3-4,9H2,1-2H3,(H,20,22)
InChIKeyIZIGIOOOONFYKO-UHFFFAOYSA-N
MW301.37 g/mol
LogP3.71
Rot. Bonds6

About 5-[butyl(methyl)amino]-N-(2-fluorophenyl)pyridine-3-carboxamide

5-[butyl(methyl)amino]-N-(2-fluorophenyl)pyridine-3-carboxamide (PubChem CID 109240389) has the molecular formula C17H20FN3O and a molecular weight of 301.37 g/mol. Its IUPAC name is 5-[butyl(methyl)amino]-N-(2-fluorophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[butyl(methyl)amino]-N-(2-fluorophenyl)pyridine-3-carboxamide
PubChem CID109240389
Molecular FormulaC17H20FN3O
Molecular Weight301.37 g/mol
Exact Mass301.16
IUPAC Name5-[butyl(methyl)amino]-N-(2-fluorophenyl)pyridine-3-carboxamide
SMILESCCCCN(C)c1cncc(C(=O)Nc2ccccc2F)c1
InChIInChI=1S/C17H20FN3O/c1-3-4-9-21(2)14-10-13(11-19-12-14)17(22)20-16-8-6-5-7-15(16)18/h5-8,10-12H,3-4,9H2,1-2H3,(H,20,22)
InChIKeyIZIGIOOOONFYKO-UHFFFAOYSA-N
XLogP3.71
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[butyl(methyl)amino]-N-phenylpyridine-3-carboxamide
CID 109240365
3-N-butyl-5-N-(2-fluorophenyl)pyridine-3,5-dicarboxamide
CID 109102018
5-(butylamino)-N-(2-fluorophenyl)pyridine-3-carboxamide
CID 109224645
5-[butyl(methyl)amino]-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109240451
5-[butyl(methyl)amino]-N-(3-methylphenyl)pyridine-3-carboxamide
CID 109240367
N-benzyl-5-[butyl(methyl)amino]pyridine-3-carboxamide
CID 109231681
N-(2-fluorophenyl)-5-(propylamino)pyridine-3-carboxamide
CID 109223073
5-[butyl(methyl)amino]-N-(2,4,6-trimethylphenyl)pyridine-3-carboxamide
CID 109240384
5-[4-(dimethylamino)anilino]-N-(2-fluorophenyl)pyridine-3-carboxamide
CID 109244125
N-(2-ethylphenyl)-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
CID 109237095
5-[butyl(methyl)amino]-N-cyclopropylpyridine-3-carboxamide
CID 109223633
5-N-(2-fluorophenyl)-3-N-(3-methoxypropyl)pyridine-3,5-dicarboxamide
CID 109103653

Frequently Asked Questions

What is the IUPAC name of 5-[butyl(methyl)amino]-N-(2-fluorophenyl)pyridine-3-carboxamide?
The IUPAC name of 5-[butyl(methyl)amino]-N-(2-fluorophenyl)pyridine-3-carboxamide (CID 109240389) is 5-[butyl(methyl)amino]-N-(2-fluorophenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-[butyl(methyl)amino]-N-(2-fluorophenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-[butyl(methyl)amino]-N-(2-fluorophenyl)pyridine-3-carboxamide is CCCCN(C)c1cncc(C(=O)Nc2ccccc2F)c1.
What is the InChIKey of 5-[butyl(methyl)amino]-N-(2-fluorophenyl)pyridine-3-carboxamide?
The InChIKey is IZIGIOOOONFYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O/c1-3-4-9-21(2)14-10-13(11-19-12-14)17(22)20-16-8-6-5-7-15(16)18/h5-8,10-12H,3-4,9H2,1-2H3,(H,20,22).
What are the key properties of 5-[butyl(methyl)amino]-N-(2-fluorophenyl)pyridine-3-carboxamide?
5-[butyl(methyl)amino]-N-(2-fluorophenyl)pyridine-3-carboxamide has a molecular weight of 301.37 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[butyl(methyl)amino]-N-(2-fluorophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109240389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).