6-(butylamino)-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide

C18H22FN3O — CID 109151574

IUPAC6-(butylamino)-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide
SMILESCCCCNc1ccc(C(=O)NCCc2ccccc2F)cn1
InChIInChI=1S/C18H22FN3O/c1-2-3-11-20-17-9-8-15(13-22-17)18(23)21-12-10-14-6-4-5-7-16(14)19/h4-9,13H,2-3,10-12H2,1H3,(H,20,22)(H,21,23)
InChIKeyPIAKUHQATSPEES-UHFFFAOYSA-N
MW315.39 g/mol
LogP3.41
Rot. Bonds8

About 6-(butylamino)-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide

6-(butylamino)-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide (PubChem CID 109151574) has the molecular formula C18H22FN3O and a molecular weight of 315.39 g/mol. Its IUPAC name is 6-(butylamino)-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(butylamino)-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide
PubChem CID109151574
Molecular FormulaC18H22FN3O
Molecular Weight315.39 g/mol
Exact Mass315.17
IUPAC Name6-(butylamino)-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide
SMILESCCCCNc1ccc(C(=O)NCCc2ccccc2F)cn1
InChIInChI=1S/C18H22FN3O/c1-2-3-11-20-17-9-8-15(13-22-17)18(23)21-12-10-14-6-4-5-7-16(14)19/h4-9,13H,2-3,10-12H2,1H3,(H,20,22)(H,21,23)
InChIKeyPIAKUHQATSPEES-UHFFFAOYSA-N
XLogP3.41
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-fluorophenyl)ethyl]-6-(methylamino)pyridine-3-carboxamide
CID 62171019
N-[(2-fluorophenyl)methyl]-6-(propylamino)pyridine-3-carboxamide
CID 62166042
N-[2-(2-fluorophenyl)ethyl]-6-hydrazinylpyridine-3-carboxamide
CID 62236916
6-(pentylamino)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109158304
6-[(2-chlorophenyl)methylamino]-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 109156772
6-[2-(2-fluorophenyl)ethylamino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109157138
N-[2-(4-fluorophenyl)ethyl]-6-(pentylamino)pyridine-3-carboxamide
CID 109158696
N-(2-fluorophenyl)-6-[2-(2-fluorophenyl)ethylamino]pyridine-3-carboxamide
CID 109158516
6-fluoro-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 63973138
6-[2-(2,4-difluorophenyl)ethylamino]-N-propylpyridine-3-carboxamide
CID 133302604
6-[2-(2-fluorophenyl)ethylamino]-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide
CID 109155884
6-(butylamino)-N-(2-ethylphenyl)pyridine-3-carboxamide
CID 109151611

Frequently Asked Questions

What is the IUPAC name of 6-(butylamino)-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 6-(butylamino)-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide (CID 109151574) is 6-(butylamino)-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(butylamino)-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(butylamino)-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide is CCCCNc1ccc(C(=O)NCCc2ccccc2F)cn1.
What is the InChIKey of 6-(butylamino)-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide?
The InChIKey is PIAKUHQATSPEES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O/c1-2-3-11-20-17-9-8-15(13-22-17)18(23)21-12-10-14-6-4-5-7-16(14)19/h4-9,13H,2-3,10-12H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 6-(butylamino)-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide?
6-(butylamino)-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide has a molecular weight of 315.39 g/mol, XLogP of 3.41, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(butylamino)-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 109151574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).