N-butyl-5-hydroxy-N-phenylpyridine-3-carboxamide

C16H18N2O2 — CID 64586177

IUPACN-butyl-5-hydroxy-N-phenylpyridine-3-carboxamide
SMILESCCCCN(C(=O)c1cncc(O)c1)c1ccccc1
InChIInChI=1S/C16H18N2O2/c1-2-3-9-18(14-7-5-4-6-8-14)16(20)13-10-15(19)12-17-11-13/h4-8,10-12,19H,2-3,9H2,1H3
InChIKeyIWEVFLAXGQOPNW-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.23
Rot. Bonds5

About N-butyl-5-hydroxy-N-phenylpyridine-3-carboxamide

N-butyl-5-hydroxy-N-phenylpyridine-3-carboxamide (PubChem CID 64586177) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is N-butyl-5-hydroxy-N-phenylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-5-hydroxy-N-phenylpyridine-3-carboxamide
PubChem CID64586177
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC NameN-butyl-5-hydroxy-N-phenylpyridine-3-carboxamide
SMILESCCCCN(C(=O)c1cncc(O)c1)c1ccccc1
InChIInChI=1S/C16H18N2O2/c1-2-3-9-18(14-7-5-4-6-8-14)16(20)13-10-15(19)12-17-11-13/h4-8,10-12,19H,2-3,9H2,1H3
InChIKeyIWEVFLAXGQOPNW-UHFFFAOYSA-N
XLogP3.23
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-butyl-5-N-ethyl-3-N-methyl-5-N-phenylpyridine-3,5-dicarboxamide
CID 109107334
N-butyl-3-hydroxy-4-methyl-N-phenylbenzamide
CID 64585980
3-bromo-N-butyl-N-phenylbenzamide
CID 17256559
4-bromo-N-butyl-N-phenylbenzamide
CID 3934058
N-ethyl-N-(4-fluorophenyl)-5-hydroxypyridine-3-carboxamide
CID 63859639
N-butyl-4-hydroxy-2-methyl-N-phenylbenzamide
CID 103865726
N-ethyl-5-(N-ethylanilino)-N-phenylpyridine-3-carboxamide
CID 109243544
5-bromo-N-phenyl-N-(2-phenylethyl)pyridine-3-carboxamide
CID 51126618
N-butyl-3-(methylsulfonylmethyl)-N-phenylbenzamide
CID 78811673
5-hydroxy-N-pentyl-N-propan-2-ylpyridine-3-carboxamide
CID 63859266
N-butyl-N-phenyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 99588904
N-butyl-2-hydroxy-5-methyl-N-phenylbenzamide
CID 60715687

Frequently Asked Questions

What is the IUPAC name of N-butyl-5-hydroxy-N-phenylpyridine-3-carboxamide?
The IUPAC name of N-butyl-5-hydroxy-N-phenylpyridine-3-carboxamide (CID 64586177) is N-butyl-5-hydroxy-N-phenylpyridine-3-carboxamide.
What is the SMILES notation for N-butyl-5-hydroxy-N-phenylpyridine-3-carboxamide?
The canonical SMILES for N-butyl-5-hydroxy-N-phenylpyridine-3-carboxamide is CCCCN(C(=O)c1cncc(O)c1)c1ccccc1.
What is the InChIKey of N-butyl-5-hydroxy-N-phenylpyridine-3-carboxamide?
The InChIKey is IWEVFLAXGQOPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-2-3-9-18(14-7-5-4-6-8-14)16(20)13-10-15(19)12-17-11-13/h4-8,10-12,19H,2-3,9H2,1H3.
What are the key properties of N-butyl-5-hydroxy-N-phenylpyridine-3-carboxamide?
N-butyl-5-hydroxy-N-phenylpyridine-3-carboxamide has a molecular weight of 270.33 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-hydroxy-N-phenylpyridine-3-carboxamide is sourced from PubChem (CID 64586177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).