N-(5-fluoro-1-methyl-2H-pyridin-2-yl)propanamide

C9H13FN2O — CID 146416602

IUPACN-(5-fluoro-1-methyl-2H-pyridin-2-yl)propanamide
SMILESCCC(=O)NC1C=CC(F)=CN1C
InChIInChI=1S/C9H13FN2O/c1-3-9(13)11-8-5-4-7(10)6-12(8)2/h4-6,8H,3H2,1-2H3,(H,11,13)
InChIKeyCYLACBGBPHFHPD-UHFFFAOYSA-N
MW184.21 g/mol
LogP1.15
Rot. Bonds2

About N-(5-fluoro-1-methyl-2H-pyridin-2-yl)propanamide

N-(5-fluoro-1-methyl-2H-pyridin-2-yl)propanamide (PubChem CID 146416602) has the molecular formula C9H13FN2O and a molecular weight of 184.21 g/mol. Its IUPAC name is N-(5-fluoro-1-methyl-2H-pyridin-2-yl)propanamide.

Molecular Properties

Compound NameN-(5-fluoro-1-methyl-2H-pyridin-2-yl)propanamide
PubChem CID146416602
Molecular FormulaC9H13FN2O
Molecular Weight184.21 g/mol
Exact Mass184.10
IUPAC NameN-(5-fluoro-1-methyl-2H-pyridin-2-yl)propanamide
SMILESCCC(=O)NC1C=CC(F)=CN1C
InChIInChI=1S/C9H13FN2O/c1-3-9(13)11-8-5-4-7(10)6-12(8)2/h4-6,8H,3H2,1-2H3,(H,11,13)
InChIKeyCYLACBGBPHFHPD-UHFFFAOYSA-N
XLogP1.15
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.21
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-1-methyl-2H-pyridin-2-yl)propanamide?
The IUPAC name of N-(5-fluoro-1-methyl-2H-pyridin-2-yl)propanamide (CID 146416602) is N-(5-fluoro-1-methyl-2H-pyridin-2-yl)propanamide.
What is the SMILES notation for N-(5-fluoro-1-methyl-2H-pyridin-2-yl)propanamide?
The canonical SMILES for N-(5-fluoro-1-methyl-2H-pyridin-2-yl)propanamide is CCC(=O)NC1C=CC(F)=CN1C.
What is the InChIKey of N-(5-fluoro-1-methyl-2H-pyridin-2-yl)propanamide?
The InChIKey is CYLACBGBPHFHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2O/c1-3-9(13)11-8-5-4-7(10)6-12(8)2/h4-6,8H,3H2,1-2H3,(H,11,13).
What are the key properties of N-(5-fluoro-1-methyl-2H-pyridin-2-yl)propanamide?
N-(5-fluoro-1-methyl-2H-pyridin-2-yl)propanamide has a molecular weight of 184.21 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-1-methyl-2H-pyridin-2-yl)propanamide is sourced from PubChem (CID 146416602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).