3-(3,5-difluoro-2-pyridinyl)butanamide

C9H10F2N2O — CID 172777205

IUPAC3-(3,5-difluoro-2-pyridinyl)butanamide
SMILESCC(CC(N)=O)c1ncc(F)cc1F
InChIInChI=1S/C9H10F2N2O/c1-5(2-8(12)14)9-7(11)3-6(10)4-13-9/h3-5H,2H2,1H3,(H2,12,14)
InChIKeyNTMFPPJOCDLLAM-UHFFFAOYSA-N
MW200.19 g/mol
LogP1.34
Rot. Bonds3

About 3-(3,5-difluoro-2-pyridinyl)butanamide

3-(3,5-difluoro-2-pyridinyl)butanamide (PubChem CID 172777205) has the molecular formula C9H10F2N2O and a molecular weight of 200.19 g/mol. Its IUPAC name is 3-(3,5-difluoro-2-pyridinyl)butanamide.

Molecular Properties

Compound Name3-(3,5-difluoro-2-pyridinyl)butanamide
PubChem CID172777205
Molecular FormulaC9H10F2N2O
Molecular Weight200.19 g/mol
Exact Mass200.08
IUPAC Name3-(3,5-difluoro-2-pyridinyl)butanamide
SMILESCC(CC(N)=O)c1ncc(F)cc1F
InChIInChI=1S/C9H10F2N2O/c1-5(2-8(12)14)9-7(11)3-6(10)4-13-9/h3-5H,2H2,1H3,(H2,12,14)
InChIKeyNTMFPPJOCDLLAM-UHFFFAOYSA-N
XLogP1.34
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,4,6-trifluorophenyl)butanamide
CID 164885056
(2R)-2-amino-2-(3,5-difluoro-2-pyridinyl)ethanol
CID 70700762
(2R)-2-(3-bromo-5-fluoro-2-pyridinyl)propanamide
CID 163238012
2-amino-N-[(1R)-1-(3,5-difluoro-2-pyridinyl)ethyl]-2-(3,3-dimethylcyclobutyl)acetamide
CID 177351576
CID 169130930
CID 169130930
3-amino-3-(5-fluoro-2-pyridinyl)propanamide
CID 87634519
3-(3,5-dimethyl-4-pyridinyl)butanamide
CID 173252399
(2S)-2-amino-N-(3,5-difluoro-2-pyridinyl)-3-hydroxypropanamide
CID 156842608
(2R)-2-amino-3-(3,5-difluoro-2-pyridinyl)propanoic acid
CID 131055961
3-(2,4-difluorophenyl)-3-hydroxypropanamide
CID 69415011
2-[5-(cyclopropylmethoxy)-3-fluoro-2-pyridinyl]propanamide
CID 175704491
3-[(3,5-difluoro-2-pyridinyl)sulfanyl]butan-1-ol
CID 112676076

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-difluoro-2-pyridinyl)butanamide?
The IUPAC name of 3-(3,5-difluoro-2-pyridinyl)butanamide (CID 172777205) is 3-(3,5-difluoro-2-pyridinyl)butanamide.
What is the SMILES notation for 3-(3,5-difluoro-2-pyridinyl)butanamide?
The canonical SMILES for 3-(3,5-difluoro-2-pyridinyl)butanamide is CC(CC(N)=O)c1ncc(F)cc1F.
What is the InChIKey of 3-(3,5-difluoro-2-pyridinyl)butanamide?
The InChIKey is NTMFPPJOCDLLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N2O/c1-5(2-8(12)14)9-7(11)3-6(10)4-13-9/h3-5H,2H2,1H3,(H2,12,14).
What are the key properties of 3-(3,5-difluoro-2-pyridinyl)butanamide?
3-(3,5-difluoro-2-pyridinyl)butanamide has a molecular weight of 200.19 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-difluoro-2-pyridinyl)butanamide is sourced from PubChem (CID 172777205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).