N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-4-pyridin-2-ylbutanamide

C17H16N4O2 — CID 71931489

IUPACN-[3-(1,3,4-oxadiazol-2-yl)phenyl]-4-pyridin-2-ylbutanamide
SMILESO=C(CCCc1ccccn1)Nc1cccc(-c2nnco2)c1
InChIInChI=1S/C17H16N4O2/c22-16(9-4-7-14-6-1-2-10-18-14)20-15-8-3-5-13(11-15)17-21-19-12-23-17/h1-3,5-6,8,10-12H,4,7,9H2,(H,20,22)
InChIKeyTWHKKLQVRBSOTO-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.09
Rot. Bonds6

About N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-4-pyridin-2-ylbutanamide

N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-4-pyridin-2-ylbutanamide (PubChem CID 71931489) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-4-pyridin-2-ylbutanamide.

Molecular Properties

Compound NameN-[3-(1,3,4-oxadiazol-2-yl)phenyl]-4-pyridin-2-ylbutanamide
PubChem CID71931489
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC NameN-[3-(1,3,4-oxadiazol-2-yl)phenyl]-4-pyridin-2-ylbutanamide
SMILESO=C(CCCc1ccccn1)Nc1cccc(-c2nnco2)c1
InChIInChI=1S/C17H16N4O2/c22-16(9-4-7-14-6-1-2-10-18-14)20-15-8-3-5-13(11-15)17-21-19-12-23-17/h1-3,5-6,8,10-12H,4,7,9H2,(H,20,22)
InChIKeyTWHKKLQVRBSOTO-UHFFFAOYSA-N
XLogP3.09
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-4-pyridin-2-ylbutanamide?
The IUPAC name of N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-4-pyridin-2-ylbutanamide (CID 71931489) is N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-4-pyridin-2-ylbutanamide.
What is the SMILES notation for N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-4-pyridin-2-ylbutanamide?
The canonical SMILES for N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-4-pyridin-2-ylbutanamide is O=C(CCCc1ccccn1)Nc1cccc(-c2nnco2)c1.
What is the InChIKey of N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-4-pyridin-2-ylbutanamide?
The InChIKey is TWHKKLQVRBSOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c22-16(9-4-7-14-6-1-2-10-18-14)20-15-8-3-5-13(11-15)17-21-19-12-23-17/h1-3,5-6,8,10-12H,4,7,9H2,(H,20,22).
What are the key properties of N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-4-pyridin-2-ylbutanamide?
N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-4-pyridin-2-ylbutanamide has a molecular weight of 308.34 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-4-pyridin-2-ylbutanamide is sourced from PubChem (CID 71931489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).