2-[butyl(methyl)amino]-N-[2-(2-fluorophenyl)ethyl]pyridine-4-carboxamide

C19H24FN3O — CID 109172478

IUPAC2-[butyl(methyl)amino]-N-[2-(2-fluorophenyl)ethyl]pyridine-4-carboxamide
SMILESCCCCN(C)c1cc(C(=O)NCCc2ccccc2F)ccn1
InChIInChI=1S/C19H24FN3O/c1-3-4-13-23(2)18-14-16(10-11-21-18)19(24)22-12-9-15-7-5-6-8-17(15)20/h5-8,10-11,14H,3-4,9,12-13H2,1-2H3,(H,22,24)
InChIKeyIAOSHAXBPXJUOS-UHFFFAOYSA-N
MW329.42 g/mol
LogP3.43
Rot. Bonds8

About 2-[butyl(methyl)amino]-N-[2-(2-fluorophenyl)ethyl]pyridine-4-carboxamide

2-[butyl(methyl)amino]-N-[2-(2-fluorophenyl)ethyl]pyridine-4-carboxamide (PubChem CID 109172478) has the molecular formula C19H24FN3O and a molecular weight of 329.42 g/mol. Its IUPAC name is 2-[butyl(methyl)amino]-N-[2-(2-fluorophenyl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[butyl(methyl)amino]-N-[2-(2-fluorophenyl)ethyl]pyridine-4-carboxamide
PubChem CID109172478
Molecular FormulaC19H24FN3O
Molecular Weight329.42 g/mol
Exact Mass329.19
IUPAC Name2-[butyl(methyl)amino]-N-[2-(2-fluorophenyl)ethyl]pyridine-4-carboxamide
SMILESCCCCN(C)c1cc(C(=O)NCCc2ccccc2F)ccn1
InChIInChI=1S/C19H24FN3O/c1-3-4-13-23(2)18-14-16(10-11-21-18)19(24)22-12-9-15-7-5-6-8-17(15)20/h5-8,10-11,14H,3-4,9,12-13H2,1-2H3,(H,22,24)
InChIKeyIAOSHAXBPXJUOS-UHFFFAOYSA-N
XLogP3.43
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-[2-(2-fluorophenyl)ethyl]-2-N-pentylpyridine-2,4-dicarboxamide
CID 109087942
4-N-[3-(dimethylamino)propyl]-2-N-[2-(2-fluorophenyl)ethyl]pyridine-2,4-dicarboxamide
CID 109083889
6-[butyl(methyl)amino]-N-[2-(2-fluorophenyl)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109371833
N-butyl-2-[2-(2-fluorophenyl)ethylamino]-N-methylpyridine-4-carboxamide
CID 109172539
6-[butyl(methyl)amino]-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide
CID 109156545
N-[2-(2-fluorophenyl)ethyl]-2-[2-(2-fluorophenyl)ethylamino]pyridine-4-carboxamide
CID 109172463
2-(aminomethyl)-N-[2-(2-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 112529343
6-[butyl(methyl)amino]-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109348168
1-N-[3-(dimethylamino)propyl]-3-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 109053381
2-(dipropylamino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 109172735
3-N-[2-(dimethylamino)ethyl]-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 109053145
N-(4-acetamidophenyl)-2-[butyl(methyl)amino]pyridine-4-carboxamide
CID 109175595

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(methyl)amino]-N-[2-(2-fluorophenyl)ethyl]pyridine-4-carboxamide?
The IUPAC name of 2-[butyl(methyl)amino]-N-[2-(2-fluorophenyl)ethyl]pyridine-4-carboxamide (CID 109172478) is 2-[butyl(methyl)amino]-N-[2-(2-fluorophenyl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-[butyl(methyl)amino]-N-[2-(2-fluorophenyl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 2-[butyl(methyl)amino]-N-[2-(2-fluorophenyl)ethyl]pyridine-4-carboxamide is CCCCN(C)c1cc(C(=O)NCCc2ccccc2F)ccn1.
What is the InChIKey of 2-[butyl(methyl)amino]-N-[2-(2-fluorophenyl)ethyl]pyridine-4-carboxamide?
The InChIKey is IAOSHAXBPXJUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O/c1-3-4-13-23(2)18-14-16(10-11-21-18)19(24)22-12-9-15-7-5-6-8-17(15)20/h5-8,10-11,14H,3-4,9,12-13H2,1-2H3,(H,22,24).
What are the key properties of 2-[butyl(methyl)amino]-N-[2-(2-fluorophenyl)ethyl]pyridine-4-carboxamide?
2-[butyl(methyl)amino]-N-[2-(2-fluorophenyl)ethyl]pyridine-4-carboxamide has a molecular weight of 329.42 g/mol, XLogP of 3.43, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(methyl)amino]-N-[2-(2-fluorophenyl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 109172478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).