N-(4-butan-2-yloxy-3-cyanophenyl)pyridine-3-carboxamide

C17H17N3O2 — CID 141478653

IUPACN-(4-butan-2-yloxy-3-cyanophenyl)pyridine-3-carboxamide
SMILESCCC(C)Oc1ccc(NC(=O)c2cccnc2)cc1C#N
InChIInChI=1S/C17H17N3O2/c1-3-12(2)22-16-7-6-15(9-14(16)10-18)20-17(21)13-5-4-8-19-11-13/h4-9,11-12H,3H2,1-2H3,(H,20,21)
InChIKeyVLYPAIXIGZNCMS-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.38
Rot. Bonds5

About N-(4-butan-2-yloxy-3-cyanophenyl)pyridine-3-carboxamide

N-(4-butan-2-yloxy-3-cyanophenyl)pyridine-3-carboxamide (PubChem CID 141478653) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-(4-butan-2-yloxy-3-cyanophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-butan-2-yloxy-3-cyanophenyl)pyridine-3-carboxamide
PubChem CID141478653
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC NameN-(4-butan-2-yloxy-3-cyanophenyl)pyridine-3-carboxamide
SMILESCCC(C)Oc1ccc(NC(=O)c2cccnc2)cc1C#N
InChIInChI=1S/C17H17N3O2/c1-3-12(2)22-16-7-6-15(9-14(16)10-18)20-17(21)13-5-4-8-19-11-13/h4-9,11-12H,3H2,1-2H3,(H,20,21)
InChIKeyVLYPAIXIGZNCMS-UHFFFAOYSA-N
XLogP3.38
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-butan-2-yloxy-3-cyanophenyl)pyridine-3-carboxamide?
The IUPAC name of N-(4-butan-2-yloxy-3-cyanophenyl)pyridine-3-carboxamide (CID 141478653) is N-(4-butan-2-yloxy-3-cyanophenyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-butan-2-yloxy-3-cyanophenyl)pyridine-3-carboxamide?
The canonical SMILES for N-(4-butan-2-yloxy-3-cyanophenyl)pyridine-3-carboxamide is CCC(C)Oc1ccc(NC(=O)c2cccnc2)cc1C#N.
What is the InChIKey of N-(4-butan-2-yloxy-3-cyanophenyl)pyridine-3-carboxamide?
The InChIKey is VLYPAIXIGZNCMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-3-12(2)22-16-7-6-15(9-14(16)10-18)20-17(21)13-5-4-8-19-11-13/h4-9,11-12H,3H2,1-2H3,(H,20,21).
What are the key properties of N-(4-butan-2-yloxy-3-cyanophenyl)pyridine-3-carboxamide?
N-(4-butan-2-yloxy-3-cyanophenyl)pyridine-3-carboxamide has a molecular weight of 295.34 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butan-2-yloxy-3-cyanophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 141478653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).