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

C18H22FN3O — CID 109156545

IUPAC6-[butyl(methyl)amino]-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide
SMILESCCCCN(C)c1ccc(C(=O)NCc2ccccc2F)cn1
InChIInChI=1S/C18H22FN3O/c1-3-4-11-22(2)17-10-9-15(13-20-17)18(23)21-12-14-7-5-6-8-16(14)19/h5-10,13H,3-4,11-12H2,1-2H3,(H,21,23)
InChIKeyYYPZDLWPHZXSTN-UHFFFAOYSA-N
MW315.39 g/mol
LogP3.39
Rot. Bonds7

About 6-[butyl(methyl)amino]-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide

6-[butyl(methyl)amino]-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide (PubChem CID 109156545) has the molecular formula C18H22FN3O and a molecular weight of 315.39 g/mol. Its IUPAC name is 6-[butyl(methyl)amino]-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[butyl(methyl)amino]-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide
PubChem CID109156545
Molecular FormulaC18H22FN3O
Molecular Weight315.39 g/mol
Exact Mass315.17
IUPAC Name6-[butyl(methyl)amino]-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide
SMILESCCCCN(C)c1ccc(C(=O)NCc2ccccc2F)cn1
InChIInChI=1S/C18H22FN3O/c1-3-4-11-22(2)17-10-9-15(13-20-17)18(23)21-12-14-7-5-6-8-16(14)19/h5-10,13H,3-4,11-12H2,1-2H3,(H,21,23)
InChIKeyYYPZDLWPHZXSTN-UHFFFAOYSA-N
XLogP3.39
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-[butyl(methyl)amino]-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[butyl(methyl)amino]-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109348168
6-[butyl(methyl)amino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109158137
1-N-butyl-4-N-[(2-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109043672
2-(butylamino)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide
CID 109248264
N-[(2-fluorophenyl)methyl]-6-(propylamino)pyridine-3-carboxamide
CID 62166042
2-[butyl(methyl)amino]-N-[2-(2-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 109172478
N-[(2-fluorophenyl)methyl]-4-pentoxybenzamide
CID 17068474
N'-butyl-N-[(2-fluorophenyl)methyl]-N'-methyloxamide
CID 108528538
1-N-butyl-3-N-[(2-fluorophenyl)methyl]benzene-1,3-dicarboxamide
CID 109051080
2-(N-ethylanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide
CID 109256934
2-[(2-fluorophenyl)methylamino]-N-propylpyrimidine-5-carboxamide
CID 109246495
4-N-butyl-2-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109079208

Frequently Asked Questions

What is the IUPAC name of 6-[butyl(methyl)amino]-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 6-[butyl(methyl)amino]-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide (CID 109156545) is 6-[butyl(methyl)amino]-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[butyl(methyl)amino]-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-[butyl(methyl)amino]-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide is CCCCN(C)c1ccc(C(=O)NCc2ccccc2F)cn1.
What is the InChIKey of 6-[butyl(methyl)amino]-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide?
The InChIKey is YYPZDLWPHZXSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O/c1-3-4-11-22(2)17-10-9-15(13-20-17)18(23)21-12-14-7-5-6-8-16(14)19/h5-10,13H,3-4,11-12H2,1-2H3,(H,21,23).
What are the key properties of 6-[butyl(methyl)amino]-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide?
6-[butyl(methyl)amino]-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide has a molecular weight of 315.39 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[butyl(methyl)amino]-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 109156545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).