N-(5-cyano-2-pyridinyl)-3-(2,4-difluorophenyl)butanamide

C16H13F2N3O — CID 122159677

IUPACN-(5-cyano-2-pyridinyl)-3-(2,4-difluorophenyl)butanamide
SMILESCC(CC(=O)Nc1ccc(C#N)cn1)c1ccc(F)cc1F
InChIInChI=1S/C16H13F2N3O/c1-10(13-4-3-12(17)7-14(13)18)6-16(22)21-15-5-2-11(8-19)9-20-15/h2-5,7,9-10H,6H2,1H3,(H,20,21,22)
InChIKeyUXIAZXIDSHIDBG-UHFFFAOYSA-N
MW301.30 g/mol
LogP3.36
Rot. Bonds4

About N-(5-cyano-2-pyridinyl)-3-(2,4-difluorophenyl)butanamide

N-(5-cyano-2-pyridinyl)-3-(2,4-difluorophenyl)butanamide (PubChem CID 122159677) has the molecular formula C16H13F2N3O and a molecular weight of 301.30 g/mol. Its IUPAC name is N-(5-cyano-2-pyridinyl)-3-(2,4-difluorophenyl)butanamide.

Molecular Properties

Compound NameN-(5-cyano-2-pyridinyl)-3-(2,4-difluorophenyl)butanamide
PubChem CID122159677
Molecular FormulaC16H13F2N3O
Molecular Weight301.30 g/mol
Exact Mass301.10
IUPAC NameN-(5-cyano-2-pyridinyl)-3-(2,4-difluorophenyl)butanamide
SMILESCC(CC(=O)Nc1ccc(C#N)cn1)c1ccc(F)cc1F
InChIInChI=1S/C16H13F2N3O/c1-10(13-4-3-12(17)7-14(13)18)6-16(22)21-15-5-2-11(8-19)9-20-15/h2-5,7,9-10H,6H2,1H3,(H,20,21,22)
InChIKeyUXIAZXIDSHIDBG-UHFFFAOYSA-N
XLogP3.36
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-2-pyridinyl)-3-(2,4-difluorophenyl)butanamide?
The IUPAC name of N-(5-cyano-2-pyridinyl)-3-(2,4-difluorophenyl)butanamide (CID 122159677) is N-(5-cyano-2-pyridinyl)-3-(2,4-difluorophenyl)butanamide.
What is the SMILES notation for N-(5-cyano-2-pyridinyl)-3-(2,4-difluorophenyl)butanamide?
The canonical SMILES for N-(5-cyano-2-pyridinyl)-3-(2,4-difluorophenyl)butanamide is CC(CC(=O)Nc1ccc(C#N)cn1)c1ccc(F)cc1F.
What is the InChIKey of N-(5-cyano-2-pyridinyl)-3-(2,4-difluorophenyl)butanamide?
The InChIKey is UXIAZXIDSHIDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N3O/c1-10(13-4-3-12(17)7-14(13)18)6-16(22)21-15-5-2-11(8-19)9-20-15/h2-5,7,9-10H,6H2,1H3,(H,20,21,22).
What are the key properties of N-(5-cyano-2-pyridinyl)-3-(2,4-difluorophenyl)butanamide?
N-(5-cyano-2-pyridinyl)-3-(2,4-difluorophenyl)butanamide has a molecular weight of 301.30 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-2-pyridinyl)-3-(2,4-difluorophenyl)butanamide is sourced from PubChem (CID 122159677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).