2-phenyl-N-(pyridin-4-yl)butanamide

C15H16N2O — CID 427060

IUPAC2-phenyl-N-pyridin-4-ylbutanamide
SMILESCCC(C1=CC=CC=C1)C(=O)NC2=CC=NC=C2
InChIInChI=1S/C15H16N2O/c1-2-14(12-6-4-3-5-7-12)15(18)17-13-8-10-16-11-9-13/h3-11,14H,2H2,1H3,(H,16,17,18)
InChIKeyMODBYAQUXXEFRM-UHFFFAOYSA-N
MW240.30 g/mol
LogP2.60
Rot. Bonds4

About 2-phenyl-N-(pyridin-4-yl)butanamide

2-phenyl-N-(pyridin-4-yl)butanamide (PubChem CID 427060) has the molecular formula C15H16N2O and a molecular weight of 240.30 g/mol. Its IUPAC name is 2-phenyl-N-pyridin-4-ylbutanamide.

Molecular Properties

Compound Name2-phenyl-N-(pyridin-4-yl)butanamide
PubChem CID427060
Molecular FormulaC15H16N2O
Molecular Weight240.30 g/mol
Exact Mass240.13
IUPAC Name2-phenyl-N-pyridin-4-ylbutanamide
SMILESCCC(C1=CC=CC=C1)C(=O)NC2=CC=NC=C2
InChIInChI=1S/C15H16N2O/c1-2-14(12-6-4-3-5-7-12)15(18)17-13-8-10-16-11-9-13/h3-11,14H,2H2,1H3,(H,16,17,18)
InChIKeyMODBYAQUXXEFRM-UHFFFAOYSA-N
XLogP2.60
TPSA42.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity255

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Disopyramide
CID 3114
Norcotinine
CID 413
Ximelegatran
CID 448042
Rogletimide
CID 56487
Mono-N-dealkyldisopyramide
CID 107858
3,5-Dimethyl-N-(4-pyridinylmethyl)benzamide
CID 40146
Vamicamide
CID 65967
N-(4-pyridyl)benzamide
CID 78893
Senazodan
CID 123942
Nicotinanilide
CID 74463
Disopyramide, (R)-
CID 156294
MS 857
CID 129517

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(pyridin-4-yl)butanamide?
The IUPAC name of 2-phenyl-N-(pyridin-4-yl)butanamide (CID 427060) is 2-phenyl-N-pyridin-4-ylbutanamide.
What is the SMILES notation for 2-phenyl-N-(pyridin-4-yl)butanamide?
The canonical SMILES for 2-phenyl-N-(pyridin-4-yl)butanamide is CCC(C1=CC=CC=C1)C(=O)NC2=CC=NC=C2.
What is the InChIKey of 2-phenyl-N-(pyridin-4-yl)butanamide?
The InChIKey is MODBYAQUXXEFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-2-14(12-6-4-3-5-7-12)15(18)17-13-8-10-16-11-9-13/h3-11,14H,2H2,1H3,(H,16,17,18).
What are the key properties of 2-phenyl-N-(pyridin-4-yl)butanamide?
2-phenyl-N-(pyridin-4-yl)butanamide has a molecular weight of 240.30 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(pyridin-4-yl)butanamide is sourced from PubChem (CID 427060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).