N-(5-butan-2-yl-2-hydroxyphenyl)pyridine-3-carboxamide

C16H18N2O2 — CID 2999843

IUPACN-(5-butan-2-yl-2-hydroxyphenyl)pyridine-3-carboxamide
SMILESCCC(C)c1ccc(O)c(NC(=O)c2cccnc2)c1
InChIInChI=1S/C16H18N2O2/c1-3-11(2)12-6-7-15(19)14(9-12)18-16(20)13-5-4-8-17-10-13/h4-11,19H,3H2,1-2H3,(H,18,20)
InChIKeyLSGODVLTGNBJHP-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.55
Rot. Bonds4

About N-(5-butan-2-yl-2-hydroxyphenyl)pyridine-3-carboxamide

N-(5-butan-2-yl-2-hydroxyphenyl)pyridine-3-carboxamide (PubChem CID 2999843) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is N-(5-butan-2-yl-2-hydroxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(5-butan-2-yl-2-hydroxyphenyl)pyridine-3-carboxamide
PubChem CID2999843
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC NameN-(5-butan-2-yl-2-hydroxyphenyl)pyridine-3-carboxamide
SMILESCCC(C)c1ccc(O)c(NC(=O)c2cccnc2)c1
InChIInChI=1S/C16H18N2O2/c1-3-11(2)12-6-7-15(19)14(9-12)18-16(20)13-5-4-8-17-10-13/h4-11,19H,3H2,1-2H3,(H,18,20)
InChIKeyLSGODVLTGNBJHP-UHFFFAOYSA-N
XLogP3.55
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(5-butan-2-yl-2-hydroxyphenyl)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(5-butan-2-yl-2-hydroxyphenyl)pyridine-3-carboxamide?
The IUPAC name of N-(5-butan-2-yl-2-hydroxyphenyl)pyridine-3-carboxamide (CID 2999843) is N-(5-butan-2-yl-2-hydroxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(5-butan-2-yl-2-hydroxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for N-(5-butan-2-yl-2-hydroxyphenyl)pyridine-3-carboxamide is CCC(C)c1ccc(O)c(NC(=O)c2cccnc2)c1.
What is the InChIKey of N-(5-butan-2-yl-2-hydroxyphenyl)pyridine-3-carboxamide?
The InChIKey is LSGODVLTGNBJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-3-11(2)12-6-7-15(19)14(9-12)18-16(20)13-5-4-8-17-10-13/h4-11,19H,3H2,1-2H3,(H,18,20).
What are the key properties of N-(5-butan-2-yl-2-hydroxyphenyl)pyridine-3-carboxamide?
N-(5-butan-2-yl-2-hydroxyphenyl)pyridine-3-carboxamide has a molecular weight of 270.33 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-butan-2-yl-2-hydroxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 2999843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).