5-[2-(4-fluorophenyl)ethylamino]-N-propan-2-ylpyridine-3-carboxamide

C17H20FN3O — CID 109223200

IUPAC5-[2-(4-fluorophenyl)ethylamino]-N-propan-2-ylpyridine-3-carboxamide
SMILESCC(C)NC(=O)c1cncc(NCCc2ccc(F)cc2)c1
InChIInChI=1S/C17H20FN3O/c1-12(2)21-17(22)14-9-16(11-19-10-14)20-8-7-13-3-5-15(18)6-4-13/h3-6,9-12,20H,7-8H2,1-2H3,(H,21,22)
InChIKeyDGSUJGOXFVMQTE-UHFFFAOYSA-N
MW301.37 g/mol
LogP3.01
Rot. Bonds6

About 5-[2-(4-fluorophenyl)ethylamino]-N-propan-2-ylpyridine-3-carboxamide

5-[2-(4-fluorophenyl)ethylamino]-N-propan-2-ylpyridine-3-carboxamide (PubChem CID 109223200) has the molecular formula C17H20FN3O and a molecular weight of 301.37 g/mol. Its IUPAC name is 5-[2-(4-fluorophenyl)ethylamino]-N-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-[2-(4-fluorophenyl)ethylamino]-N-propan-2-ylpyridine-3-carboxamide
PubChem CID109223200
Molecular FormulaC17H20FN3O
Molecular Weight301.37 g/mol
Exact Mass301.16
IUPAC Name5-[2-(4-fluorophenyl)ethylamino]-N-propan-2-ylpyridine-3-carboxamide
SMILESCC(C)NC(=O)c1cncc(NCCc2ccc(F)cc2)c1
InChIInChI=1S/C17H20FN3O/c1-12(2)21-17(22)14-9-16(11-19-10-14)20-8-7-13-3-5-15(18)6-4-13/h3-6,9-12,20H,7-8H2,1-2H3,(H,21,22)
InChIKeyDGSUJGOXFVMQTE-UHFFFAOYSA-N
XLogP3.01
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[2-(4-fluorophenyl)ethylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109227666
N-[2-(4-fluorophenyl)ethyl]-5-(3-methoxypropylamino)pyridine-3-carboxamide
CID 109228217
N-(2,5-dimethylphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyridine-3-carboxamide
CID 109236524
methyl 2-[[5-[2-(4-fluorophenyl)ethylamino]pyridine-3-carbonyl]amino]benzoate
CID 109236565
[5-[2-(4-fluorophenyl)ethylamino]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109225535
5-(3-methoxypropylamino)-N-propan-2-ylpyridine-3-carboxamide
CID 109223169
5-[2-(4-chlorophenyl)ethylamino]-N-(1-phenylethyl)pyridine-3-carboxamide
CID 109232774
azepan-1-yl-[5-[2-(4-fluorophenyl)ethylamino]-3-pyridinyl]methanone
CID 109236515
[5-[2-(4-fluorophenyl)ethylamino]-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109236512
N-(3-fluorophenyl)-5-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carboxamide
CID 109236961
3-N-(2-phenylethyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide
CID 109101366
5-[2-(4-chlorophenyl)ethylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109227679

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-fluorophenyl)ethylamino]-N-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of 5-[2-(4-fluorophenyl)ethylamino]-N-propan-2-ylpyridine-3-carboxamide (CID 109223200) is 5-[2-(4-fluorophenyl)ethylamino]-N-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for 5-[2-(4-fluorophenyl)ethylamino]-N-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for 5-[2-(4-fluorophenyl)ethylamino]-N-propan-2-ylpyridine-3-carboxamide is CC(C)NC(=O)c1cncc(NCCc2ccc(F)cc2)c1.
What is the InChIKey of 5-[2-(4-fluorophenyl)ethylamino]-N-propan-2-ylpyridine-3-carboxamide?
The InChIKey is DGSUJGOXFVMQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O/c1-12(2)21-17(22)14-9-16(11-19-10-14)20-8-7-13-3-5-15(18)6-4-13/h3-6,9-12,20H,7-8H2,1-2H3,(H,21,22).
What are the key properties of 5-[2-(4-fluorophenyl)ethylamino]-N-propan-2-ylpyridine-3-carboxamide?
5-[2-(4-fluorophenyl)ethylamino]-N-propan-2-ylpyridine-3-carboxamide has a molecular weight of 301.37 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-fluorophenyl)ethylamino]-N-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 109223200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).