5-cyano-N-(2,2-diethyloxan-4-yl)pyridine-2-carboxamide

C16H21N3O2 — CID 82765330

IUPAC5-cyano-N-(2,2-diethyloxan-4-yl)pyridine-2-carboxamide
SMILESCCC1(CC)CC(NC(=O)c2ccc(C#N)cn2)CCO1
InChIInChI=1S/C16H21N3O2/c1-3-16(4-2)9-13(7-8-21-16)19-15(20)14-6-5-12(10-17)11-18-14/h5-6,11,13H,3-4,7-9H2,1-2H3,(H,19,20)
InChIKeyQYXDHRGUQUYAQV-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.42
Rot. Bonds4

About 5-cyano-N-(2,2-diethyloxan-4-yl)pyridine-2-carboxamide

5-cyano-N-(2,2-diethyloxan-4-yl)pyridine-2-carboxamide (PubChem CID 82765330) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 5-cyano-N-(2,2-diethyloxan-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-(2,2-diethyloxan-4-yl)pyridine-2-carboxamide
PubChem CID82765330
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name5-cyano-N-(2,2-diethyloxan-4-yl)pyridine-2-carboxamide
SMILESCCC1(CC)CC(NC(=O)c2ccc(C#N)cn2)CCO1
InChIInChI=1S/C16H21N3O2/c1-3-16(4-2)9-13(7-8-21-16)19-15(20)14-6-5-12(10-17)11-18-14/h5-6,11,13H,3-4,7-9H2,1-2H3,(H,19,20)
InChIKeyQYXDHRGUQUYAQV-UHFFFAOYSA-N
XLogP2.42
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,2-diethyloxan-4-yl)-6-oxo-1H-pyridazine-3-carboxamide
CID 103868621
4-amino-N-(2,2-diethyloxan-4-yl)pyridine-2-carboxamide
CID 83040050
N-(2,2-dimethyloxan-4-yl)-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
CID 83035238
5-cyano-N-(3-ethylcyclohexyl)pyridine-2-carboxamide
CID 64748832
5-cyano-N-(3-methoxycyclobutyl)pyridine-2-carboxamide
CID 104578357
5-cyano-N-(3,4-dimethylcyclohexyl)pyridine-2-carboxamide
CID 64741358
4-bromo-N-(2,2-diethyloxan-4-yl)benzamide
CID 82760145
2-bromo-N-(2,2-diethyloxan-4-yl)pyridine-3-carboxamide
CID 103868583
N-(2,2-diethyloxan-4-yl)-3-hydroxy-4-iodobenzamide
CID 104629914
2-(aminomethyl)-N-(2,2-diethyloxan-4-yl)pyridine-4-carboxamide
CID 83036644
5-[(2,2-diethyloxan-4-yl)carbamoyl]thiophene-2-carboxylic acid
CID 83035065
N-(2,2-dimethyloxan-4-yl)-5-(methylamino)pyridine-2-carboxamide
CID 104641994

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-(2,2-diethyloxan-4-yl)pyridine-2-carboxamide?
The IUPAC name of 5-cyano-N-(2,2-diethyloxan-4-yl)pyridine-2-carboxamide (CID 82765330) is 5-cyano-N-(2,2-diethyloxan-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for 5-cyano-N-(2,2-diethyloxan-4-yl)pyridine-2-carboxamide?
The canonical SMILES for 5-cyano-N-(2,2-diethyloxan-4-yl)pyridine-2-carboxamide is CCC1(CC)CC(NC(=O)c2ccc(C#N)cn2)CCO1.
What is the InChIKey of 5-cyano-N-(2,2-diethyloxan-4-yl)pyridine-2-carboxamide?
The InChIKey is QYXDHRGUQUYAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-3-16(4-2)9-13(7-8-21-16)19-15(20)14-6-5-12(10-17)11-18-14/h5-6,11,13H,3-4,7-9H2,1-2H3,(H,19,20).
What are the key properties of 5-cyano-N-(2,2-diethyloxan-4-yl)pyridine-2-carboxamide?
5-cyano-N-(2,2-diethyloxan-4-yl)pyridine-2-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-(2,2-diethyloxan-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 82765330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).