N-cyclobutyl-6-phenylmethoxypyridine-3-carboxamide

C17H18N2O2 — CID 58368133

IUPACN-cyclobutyl-6-phenylmethoxypyridine-3-carboxamide
SMILESO=C(NC1CCC1)c1ccc(OCc2ccccc2)nc1
InChIInChI=1S/C17H18N2O2/c20-17(19-15-7-4-8-15)14-9-10-16(18-11-14)21-12-13-5-2-1-3-6-13/h1-3,5-6,9-11,15H,4,7-8,12H2,(H,19,20)
InChIKeyCHXAFQZOXGCYPJ-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.94
Rot. Bonds5

About N-cyclobutyl-6-phenylmethoxypyridine-3-carboxamide

N-cyclobutyl-6-phenylmethoxypyridine-3-carboxamide (PubChem CID 58368133) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is N-cyclobutyl-6-phenylmethoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclobutyl-6-phenylmethoxypyridine-3-carboxamide
PubChem CID58368133
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC NameN-cyclobutyl-6-phenylmethoxypyridine-3-carboxamide
SMILESO=C(NC1CCC1)c1ccc(OCc2ccccc2)nc1
InChIInChI=1S/C17H18N2O2/c20-17(19-15-7-4-8-15)14-9-10-16(18-11-14)21-12-13-5-2-1-3-6-13/h1-3,5-6,9-11,15H,4,7-8,12H2,(H,19,20)
InChIKeyCHXAFQZOXGCYPJ-UHFFFAOYSA-N
XLogP2.94
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-6-phenylmethoxypyridine-3-carboxamide?
The IUPAC name of N-cyclobutyl-6-phenylmethoxypyridine-3-carboxamide (CID 58368133) is N-cyclobutyl-6-phenylmethoxypyridine-3-carboxamide.
What is the SMILES notation for N-cyclobutyl-6-phenylmethoxypyridine-3-carboxamide?
The canonical SMILES for N-cyclobutyl-6-phenylmethoxypyridine-3-carboxamide is O=C(NC1CCC1)c1ccc(OCc2ccccc2)nc1.
What is the InChIKey of N-cyclobutyl-6-phenylmethoxypyridine-3-carboxamide?
The InChIKey is CHXAFQZOXGCYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c20-17(19-15-7-4-8-15)14-9-10-16(18-11-14)21-12-13-5-2-1-3-6-13/h1-3,5-6,9-11,15H,4,7-8,12H2,(H,19,20).
What are the key properties of N-cyclobutyl-6-phenylmethoxypyridine-3-carboxamide?
N-cyclobutyl-6-phenylmethoxypyridine-3-carboxamide has a molecular weight of 282.34 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-6-phenylmethoxypyridine-3-carboxamide is sourced from PubChem (CID 58368133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).