N-[3-cyano-4-(2-methylpropoxy)phenyl]pyridine-3-carboxamide

C17H17N3O2 — CID 141478646

IUPACN-[3-cyano-4-(2-methylpropoxy)phenyl]pyridine-3-carboxamide
SMILESCC(C)COc1ccc(NC(=O)c2cccnc2)cc1C#N
InChIInChI=1S/C17H17N3O2/c1-12(2)11-22-16-6-5-15(8-14(16)9-18)20-17(21)13-4-3-7-19-10-13/h3-8,10,12H,11H2,1-2H3,(H,20,21)
InChIKeyHYEYFLHWTOJHLG-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.24
Rot. Bonds5

About N-[3-cyano-4-(2-methylpropoxy)phenyl]pyridine-3-carboxamide

N-[3-cyano-4-(2-methylpropoxy)phenyl]pyridine-3-carboxamide (PubChem CID 141478646) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-[3-cyano-4-(2-methylpropoxy)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-cyano-4-(2-methylpropoxy)phenyl]pyridine-3-carboxamide
PubChem CID141478646
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC NameN-[3-cyano-4-(2-methylpropoxy)phenyl]pyridine-3-carboxamide
SMILESCC(C)COc1ccc(NC(=O)c2cccnc2)cc1C#N
InChIInChI=1S/C17H17N3O2/c1-12(2)11-22-16-6-5-15(8-14(16)9-18)20-17(21)13-4-3-7-19-10-13/h3-8,10,12H,11H2,1-2H3,(H,20,21)
InChIKeyHYEYFLHWTOJHLG-UHFFFAOYSA-N
XLogP3.24
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 ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-cyano-4-(2-methylpropoxy)phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[3-cyano-4-(2-methylpropoxy)phenyl]pyridine-3-carboxamide (CID 141478646) is N-[3-cyano-4-(2-methylpropoxy)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-cyano-4-(2-methylpropoxy)phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-cyano-4-(2-methylpropoxy)phenyl]pyridine-3-carboxamide is CC(C)COc1ccc(NC(=O)c2cccnc2)cc1C#N.
What is the InChIKey of N-[3-cyano-4-(2-methylpropoxy)phenyl]pyridine-3-carboxamide?
The InChIKey is HYEYFLHWTOJHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-12(2)11-22-16-6-5-15(8-14(16)9-18)20-17(21)13-4-3-7-19-10-13/h3-8,10,12H,11H2,1-2H3,(H,20,21).
What are the key properties of N-[3-cyano-4-(2-methylpropoxy)phenyl]pyridine-3-carboxamide?
N-[3-cyano-4-(2-methylpropoxy)phenyl]pyridine-3-carboxamide has a molecular weight of 295.34 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyano-4-(2-methylpropoxy)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 141478646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).