N-(2-cyano-4,5-diethoxyphenyl)pyridine-3-carboxamide

C17H17N3O3 — CID 715260

IUPACN-(2-cyano-4,5-diethoxyphenyl)pyridine-3-carboxamide
SMILESCCOc1cc(C#N)c(NC(=O)c2cccnc2)cc1OCC
InChIInChI=1S/C17H17N3O3/c1-3-22-15-8-13(10-18)14(9-16(15)23-4-2)20-17(21)12-6-5-7-19-11-12/h5-9,11H,3-4H2,1-2H3,(H,20,21)
InChIKeyIRFZXXMPUSFAHO-UHFFFAOYSA-N
MW311.34 g/mol
LogP3.00
Rot. Bonds6

About N-(2-cyano-4,5-diethoxyphenyl)pyridine-3-carboxamide

N-(2-cyano-4,5-diethoxyphenyl)pyridine-3-carboxamide (PubChem CID 715260) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is N-(2-cyano-4,5-diethoxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyano-4,5-diethoxyphenyl)pyridine-3-carboxamide
PubChem CID715260
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC NameN-(2-cyano-4,5-diethoxyphenyl)pyridine-3-carboxamide
SMILESCCOc1cc(C#N)c(NC(=O)c2cccnc2)cc1OCC
InChIInChI=1S/C17H17N3O3/c1-3-22-15-8-13(10-18)14(9-16(15)23-4-2)20-17(21)12-6-5-7-19-11-12/h5-9,11H,3-4H2,1-2H3,(H,20,21)
InChIKeyIRFZXXMPUSFAHO-UHFFFAOYSA-N
XLogP3.00
TPSA84.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-4,5-diethoxyphenyl)pyridine-3-carboxamide?
The IUPAC name of N-(2-cyano-4,5-diethoxyphenyl)pyridine-3-carboxamide (CID 715260) is N-(2-cyano-4,5-diethoxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-cyano-4,5-diethoxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for N-(2-cyano-4,5-diethoxyphenyl)pyridine-3-carboxamide is CCOc1cc(C#N)c(NC(=O)c2cccnc2)cc1OCC.
What is the InChIKey of N-(2-cyano-4,5-diethoxyphenyl)pyridine-3-carboxamide?
The InChIKey is IRFZXXMPUSFAHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-3-22-15-8-13(10-18)14(9-16(15)23-4-2)20-17(21)12-6-5-7-19-11-12/h5-9,11H,3-4H2,1-2H3,(H,20,21).
What are the key properties of N-(2-cyano-4,5-diethoxyphenyl)pyridine-3-carboxamide?
N-(2-cyano-4,5-diethoxyphenyl)pyridine-3-carboxamide has a molecular weight of 311.34 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-4,5-diethoxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 715260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).