N-(3-fluoro-2-pyridinyl)-N-propylpropanamide

C11H15FN2O — CID 171524281

IUPACN-(3-fluoro-2-pyridinyl)-N-propylpropanamide
SMILESCCCN(C(=O)CC)c1ncccc1F
InChIInChI=1S/C11H15FN2O/c1-3-8-14(10(15)4-2)11-9(12)6-5-7-13-11/h5-7H,3-4,8H2,1-2H3
InChIKeyHXSWYYJQFVEHNX-UHFFFAOYSA-N
MW210.25 g/mol
LogP2.37
Rot. Bonds4

About N-(3-fluoro-2-pyridinyl)-N-propylpropanamide

N-(3-fluoro-2-pyridinyl)-N-propylpropanamide (PubChem CID 171524281) has the molecular formula C11H15FN2O and a molecular weight of 210.25 g/mol. Its IUPAC name is N-(3-fluoro-2-pyridinyl)-N-propylpropanamide.

Molecular Properties

Compound NameN-(3-fluoro-2-pyridinyl)-N-propylpropanamide
PubChem CID171524281
Molecular FormulaC11H15FN2O
Molecular Weight210.25 g/mol
Exact Mass210.12
IUPAC NameN-(3-fluoro-2-pyridinyl)-N-propylpropanamide
SMILESCCCN(C(=O)CC)c1ncccc1F
InChIInChI=1S/C11H15FN2O/c1-3-8-14(10(15)4-2)11-9(12)6-5-7-13-11/h5-7H,3-4,8H2,1-2H3
InChIKeyHXSWYYJQFVEHNX-UHFFFAOYSA-N
XLogP2.37
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-2-pyridinyl)-N-propylpropanamide?
The IUPAC name of N-(3-fluoro-2-pyridinyl)-N-propylpropanamide (CID 171524281) is N-(3-fluoro-2-pyridinyl)-N-propylpropanamide.
What is the SMILES notation for N-(3-fluoro-2-pyridinyl)-N-propylpropanamide?
The canonical SMILES for N-(3-fluoro-2-pyridinyl)-N-propylpropanamide is CCCN(C(=O)CC)c1ncccc1F.
What is the InChIKey of N-(3-fluoro-2-pyridinyl)-N-propylpropanamide?
The InChIKey is HXSWYYJQFVEHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O/c1-3-8-14(10(15)4-2)11-9(12)6-5-7-13-11/h5-7H,3-4,8H2,1-2H3.
What are the key properties of N-(3-fluoro-2-pyridinyl)-N-propylpropanamide?
N-(3-fluoro-2-pyridinyl)-N-propylpropanamide has a molecular weight of 210.25 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-2-pyridinyl)-N-propylpropanamide is sourced from PubChem (CID 171524281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).