N-(2-hydroxy-5-propan-2-ylphenyl)pyridine-3-carboxamide

C15H16N2O2 — CID 753642

IUPACN-(2-hydroxy-5-propan-2-ylphenyl)pyridine-3-carboxamide
SMILESCC(C)c1ccc(O)c(NC(=O)c2cccnc2)c1
InChIInChI=1S/C15H16N2O2/c1-10(2)11-5-6-14(18)13(8-11)17-15(19)12-4-3-7-16-9-12/h3-10,18H,1-2H3,(H,17,19)
InChIKeyUVGGJGIEIGLGIZ-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.16
Rot. Bonds3

About N-(2-hydroxy-5-propan-2-ylphenyl)pyridine-3-carboxamide

N-(2-hydroxy-5-propan-2-ylphenyl)pyridine-3-carboxamide (PubChem CID 753642) has the molecular formula C15H16N2O2 and a molecular weight of 256.30 g/mol. Its IUPAC name is N-(2-hydroxy-5-propan-2-ylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-5-propan-2-ylphenyl)pyridine-3-carboxamide
PubChem CID753642
Molecular FormulaC15H16N2O2
Molecular Weight256.30 g/mol
Exact Mass256.12
IUPAC NameN-(2-hydroxy-5-propan-2-ylphenyl)pyridine-3-carboxamide
SMILESCC(C)c1ccc(O)c(NC(=O)c2cccnc2)c1
InChIInChI=1S/C15H16N2O2/c1-10(2)11-5-6-14(18)13(8-11)17-15(19)12-4-3-7-16-9-12/h3-10,18H,1-2H3,(H,17,19)
InChIKeyUVGGJGIEIGLGIZ-UHFFFAOYSA-N
XLogP3.16
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-5-propan-2-ylphenyl)pyridine-3-carboxamide?
The IUPAC name of N-(2-hydroxy-5-propan-2-ylphenyl)pyridine-3-carboxamide (CID 753642) is N-(2-hydroxy-5-propan-2-ylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-hydroxy-5-propan-2-ylphenyl)pyridine-3-carboxamide?
The canonical SMILES for N-(2-hydroxy-5-propan-2-ylphenyl)pyridine-3-carboxamide is CC(C)c1ccc(O)c(NC(=O)c2cccnc2)c1.
What is the InChIKey of N-(2-hydroxy-5-propan-2-ylphenyl)pyridine-3-carboxamide?
The InChIKey is UVGGJGIEIGLGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-10(2)11-5-6-14(18)13(8-11)17-15(19)12-4-3-7-16-9-12/h3-10,18H,1-2H3,(H,17,19).
What are the key properties of N-(2-hydroxy-5-propan-2-ylphenyl)pyridine-3-carboxamide?
N-(2-hydroxy-5-propan-2-ylphenyl)pyridine-3-carboxamide has a molecular weight of 256.30 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-5-propan-2-ylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 753642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).