4-phenyl-N-pyridin-2-ylbutanamide

C15H16N2O — CID 836507

IUPAC4-phenyl-N-pyridin-2-ylbutanamide
SMILESO=C(CCCc1ccccc1)Nc1ccccn1
InChIInChI=1S/C15H16N2O/c18-15(17-14-10-4-5-12-16-14)11-6-9-13-7-2-1-3-8-13/h1-5,7-8,10,12H,6,9,11H2,(H,16,17,18)
InChIKeyBNDUSXZNAHWOMA-UHFFFAOYSA-N
MW240.31 g/mol
LogP3.04
Rot. Bonds5

About 4-phenyl-N-pyridin-2-ylbutanamide

4-phenyl-N-pyridin-2-ylbutanamide (PubChem CID 836507) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 4-phenyl-N-pyridin-2-ylbutanamide.

Molecular Properties

Compound Name4-phenyl-N-pyridin-2-ylbutanamide
PubChem CID836507
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name4-phenyl-N-pyridin-2-ylbutanamide
SMILESO=C(CCCc1ccccc1)Nc1ccccn1
InChIInChI=1S/C15H16N2O/c18-15(17-14-10-4-5-12-16-14)11-6-9-13-7-2-1-3-8-13/h1-5,7-8,10,12H,6,9,11H2,(H,16,17,18)
InChIKeyBNDUSXZNAHWOMA-UHFFFAOYSA-N
XLogP3.04
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-pyridin-2-ylbutanamide?
The IUPAC name of 4-phenyl-N-pyridin-2-ylbutanamide (CID 836507) is 4-phenyl-N-pyridin-2-ylbutanamide.
What is the SMILES notation for 4-phenyl-N-pyridin-2-ylbutanamide?
The canonical SMILES for 4-phenyl-N-pyridin-2-ylbutanamide is O=C(CCCc1ccccc1)Nc1ccccn1.
What is the InChIKey of 4-phenyl-N-pyridin-2-ylbutanamide?
The InChIKey is BNDUSXZNAHWOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c18-15(17-14-10-4-5-12-16-14)11-6-9-13-7-2-1-3-8-13/h1-5,7-8,10,12H,6,9,11H2,(H,16,17,18).
What are the key properties of 4-phenyl-N-pyridin-2-ylbutanamide?
4-phenyl-N-pyridin-2-ylbutanamide has a molecular weight of 240.31 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-pyridin-2-ylbutanamide is sourced from PubChem (CID 836507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).