2-ethyl-N-[6-[2-(2-fluorophenyl)ethylamino]-3-pyridinyl]butanamide

C19H24FN3O — CID 113013197

IUPAC2-ethyl-N-[6-[2-(2-fluorophenyl)ethylamino]-3-pyridinyl]butanamide
SMILESCCC(CC)C(=O)Nc1ccc(NCCc2ccccc2F)nc1
InChIInChI=1S/C19H24FN3O/c1-3-14(4-2)19(24)23-16-9-10-18(22-13-16)21-12-11-15-7-5-6-8-17(15)20/h5-10,13-14H,3-4,11-12H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyGYHUETQWKHQUHP-UHFFFAOYSA-N
MW329.42 g/mol
LogP4.25
Rot. Bonds8

About 2-ethyl-N-[6-[2-(2-fluorophenyl)ethylamino]-3-pyridinyl]butanamide

2-ethyl-N-[6-[2-(2-fluorophenyl)ethylamino]-3-pyridinyl]butanamide (PubChem CID 113013197) has the molecular formula C19H24FN3O and a molecular weight of 329.42 g/mol. Its IUPAC name is 2-ethyl-N-[6-[2-(2-fluorophenyl)ethylamino]-3-pyridinyl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[6-[2-(2-fluorophenyl)ethylamino]-3-pyridinyl]butanamide
PubChem CID113013197
Molecular FormulaC19H24FN3O
Molecular Weight329.42 g/mol
Exact Mass329.19
IUPAC Name2-ethyl-N-[6-[2-(2-fluorophenyl)ethylamino]-3-pyridinyl]butanamide
SMILESCCC(CC)C(=O)Nc1ccc(NCCc2ccccc2F)nc1
InChIInChI=1S/C19H24FN3O/c1-3-14(4-2)19(24)23-16-9-10-18(22-13-16)21-12-11-15-7-5-6-8-17(15)20/h5-10,13-14H,3-4,11-12H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyGYHUETQWKHQUHP-UHFFFAOYSA-N
XLogP4.25
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[6-[2-(2-fluorophenyl)ethylamino]-3-pyridinyl]butanamide?
The IUPAC name of 2-ethyl-N-[6-[2-(2-fluorophenyl)ethylamino]-3-pyridinyl]butanamide (CID 113013197) is 2-ethyl-N-[6-[2-(2-fluorophenyl)ethylamino]-3-pyridinyl]butanamide.
What is the SMILES notation for 2-ethyl-N-[6-[2-(2-fluorophenyl)ethylamino]-3-pyridinyl]butanamide?
The canonical SMILES for 2-ethyl-N-[6-[2-(2-fluorophenyl)ethylamino]-3-pyridinyl]butanamide is CCC(CC)C(=O)Nc1ccc(NCCc2ccccc2F)nc1.
What is the InChIKey of 2-ethyl-N-[6-[2-(2-fluorophenyl)ethylamino]-3-pyridinyl]butanamide?
The InChIKey is GYHUETQWKHQUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O/c1-3-14(4-2)19(24)23-16-9-10-18(22-13-16)21-12-11-15-7-5-6-8-17(15)20/h5-10,13-14H,3-4,11-12H2,1-2H3,(H,21,22)(H,23,24).
What are the key properties of 2-ethyl-N-[6-[2-(2-fluorophenyl)ethylamino]-3-pyridinyl]butanamide?
2-ethyl-N-[6-[2-(2-fluorophenyl)ethylamino]-3-pyridinyl]butanamide has a molecular weight of 329.42 g/mol, XLogP of 4.25, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[6-[2-(2-fluorophenyl)ethylamino]-3-pyridinyl]butanamide is sourced from PubChem (CID 113013197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).