2-propan-2-yloxy-4-pyridin-3-ylbenzamide

C15H16N2O2 — CID 155521087

IUPAC2-propan-2-yloxy-4-pyridin-3-ylbenzamide
SMILESCC(C)Oc1cc(-c2cccnc2)ccc1C(N)=O
InChIInChI=1S/C15H16N2O2/c1-10(2)19-14-8-11(5-6-13(14)15(16)18)12-4-3-7-17-9-12/h3-10H,1-2H3,(H2,16,18)
InChIKeyDZEKKRSPIVXYAJ-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.63
Rot. Bonds4

About 2-propan-2-yloxy-4-pyridin-3-ylbenzamide

2-propan-2-yloxy-4-pyridin-3-ylbenzamide (PubChem CID 155521087) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-propan-2-yloxy-4-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name2-propan-2-yloxy-4-pyridin-3-ylbenzamide
PubChem CID155521087
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name2-propan-2-yloxy-4-pyridin-3-ylbenzamide
SMILESCC(C)Oc1cc(-c2cccnc2)ccc1C(N)=O
InChIInChI=1S/C15H16N2O2/c1-10(2)19-14-8-11(5-6-13(14)15(16)18)12-4-3-7-17-9-12/h3-10H,1-2H3,(H2,16,18)
InChIKeyDZEKKRSPIVXYAJ-UHFFFAOYSA-N
XLogP2.63
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxy-4-pyridin-3-ylbenzamide?
The IUPAC name of 2-propan-2-yloxy-4-pyridin-3-ylbenzamide (CID 155521087) is 2-propan-2-yloxy-4-pyridin-3-ylbenzamide.
What is the SMILES notation for 2-propan-2-yloxy-4-pyridin-3-ylbenzamide?
The canonical SMILES for 2-propan-2-yloxy-4-pyridin-3-ylbenzamide is CC(C)Oc1cc(-c2cccnc2)ccc1C(N)=O.
What is the InChIKey of 2-propan-2-yloxy-4-pyridin-3-ylbenzamide?
The InChIKey is DZEKKRSPIVXYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-10(2)19-14-8-11(5-6-13(14)15(16)18)12-4-3-7-17-9-12/h3-10H,1-2H3,(H2,16,18).
What are the key properties of 2-propan-2-yloxy-4-pyridin-3-ylbenzamide?
2-propan-2-yloxy-4-pyridin-3-ylbenzamide has a molecular weight of 256.31 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxy-4-pyridin-3-ylbenzamide is sourced from PubChem (CID 155521087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).