6-[2-(2,4-difluorophenyl)ethylamino]-N-propylpyridine-3-carboxamide

C17H19F2N3O — CID 133302604

IUPAC6-[2-(2,4-difluorophenyl)ethylamino]-N-propylpyridine-3-carboxamide
SMILESCCCNC(=O)c1ccc(NCCc2ccc(F)cc2F)nc1
InChIInChI=1S/C17H19F2N3O/c1-2-8-21-17(23)13-4-6-16(22-11-13)20-9-7-12-3-5-14(18)10-15(12)19/h3-6,10-11H,2,7-9H2,1H3,(H,20,22)(H,21,23)
InChIKeyWMAJRQZLMYFLQK-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.15
Rot. Bonds7

About 6-[2-(2,4-difluorophenyl)ethylamino]-N-propylpyridine-3-carboxamide

6-[2-(2,4-difluorophenyl)ethylamino]-N-propylpyridine-3-carboxamide (PubChem CID 133302604) has the molecular formula C17H19F2N3O and a molecular weight of 319.36 g/mol. Its IUPAC name is 6-[2-(2,4-difluorophenyl)ethylamino]-N-propylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[2-(2,4-difluorophenyl)ethylamino]-N-propylpyridine-3-carboxamide
PubChem CID133302604
Molecular FormulaC17H19F2N3O
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC Name6-[2-(2,4-difluorophenyl)ethylamino]-N-propylpyridine-3-carboxamide
SMILESCCCNC(=O)c1ccc(NCCc2ccc(F)cc2F)nc1
InChIInChI=1S/C17H19F2N3O/c1-2-8-21-17(23)13-4-6-16(22-11-13)20-9-7-12-3-5-14(18)10-15(12)19/h3-6,10-11H,2,7-9H2,1H3,(H,20,22)(H,21,23)
InChIKeyWMAJRQZLMYFLQK-UHFFFAOYSA-N
XLogP3.15
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(butylamino)-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 109151574
6-(2-phenylethylamino)-N-propylpyridine-3-carboxamide
CID 109151243
N-[(2-fluorophenyl)methyl]-6-(propylamino)pyridine-3-carboxamide
CID 62166042
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
2-[2-(2-fluorophenyl)ethylamino]-N-propylpyrimidine-5-carboxamide
CID 109246508
6-[2-(2-fluorophenyl)ethylamino]-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide
CID 109155884
6-[(2-methoxyphenyl)methylamino]-N-propylpyridine-3-carboxamide
CID 109151240
N-(2-chloro-5-fluorophenyl)-6-(propylamino)pyridine-3-carboxamide
CID 107531151
N-[2-(2-fluorophenyl)ethyl]-6-(methylamino)pyridine-3-carboxamide
CID 62171019
N-(2-fluorophenyl)-6-[2-(2-fluorophenyl)ethylamino]pyridine-3-carboxamide
CID 109158516
ethyl 6-[(2,4-difluorophenyl)methylamino]pyridine-3-carboxylate
CID 62048016

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2,4-difluorophenyl)ethylamino]-N-propylpyridine-3-carboxamide?
The IUPAC name of 6-[2-(2,4-difluorophenyl)ethylamino]-N-propylpyridine-3-carboxamide (CID 133302604) is 6-[2-(2,4-difluorophenyl)ethylamino]-N-propylpyridine-3-carboxamide.
What is the SMILES notation for 6-[2-(2,4-difluorophenyl)ethylamino]-N-propylpyridine-3-carboxamide?
The canonical SMILES for 6-[2-(2,4-difluorophenyl)ethylamino]-N-propylpyridine-3-carboxamide is CCCNC(=O)c1ccc(NCCc2ccc(F)cc2F)nc1.
What is the InChIKey of 6-[2-(2,4-difluorophenyl)ethylamino]-N-propylpyridine-3-carboxamide?
The InChIKey is WMAJRQZLMYFLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N3O/c1-2-8-21-17(23)13-4-6-16(22-11-13)20-9-7-12-3-5-14(18)10-15(12)19/h3-6,10-11H,2,7-9H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 6-[2-(2,4-difluorophenyl)ethylamino]-N-propylpyridine-3-carboxamide?
6-[2-(2,4-difluorophenyl)ethylamino]-N-propylpyridine-3-carboxamide has a molecular weight of 319.36 g/mol, XLogP of 3.15, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2,4-difluorophenyl)ethylamino]-N-propylpyridine-3-carboxamide is sourced from PubChem (CID 133302604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).