5-cyano-N-methyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide

C14H17N3O2 — CID 63770699

IUPAC5-cyano-N-methyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide
SMILESCN(CC1CCOCC1)C(=O)c1ccc(C#N)cn1
InChIInChI=1S/C14H17N3O2/c1-17(10-11-4-6-19-7-5-11)14(18)13-3-2-12(8-15)9-16-13/h2-3,9,11H,4-7,10H2,1H3
InChIKeySWIFXIMLODLBJL-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.45
Rot. Bonds3

About 5-cyano-N-methyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide

5-cyano-N-methyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide (PubChem CID 63770699) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 5-cyano-N-methyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-methyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide
PubChem CID63770699
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name5-cyano-N-methyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide
SMILESCN(CC1CCOCC1)C(=O)c1ccc(C#N)cn1
InChIInChI=1S/C14H17N3O2/c1-17(10-11-4-6-19-7-5-11)14(18)13-3-2-12(8-15)9-16-13/h2-3,9,11H,4-7,10H2,1H3
InChIKeySWIFXIMLODLBJL-UHFFFAOYSA-N
XLogP1.45
TPSA66.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-methyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 5-cyano-N-methyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide (CID 63770699) is 5-cyano-N-methyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-cyano-N-methyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 5-cyano-N-methyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide is CN(CC1CCOCC1)C(=O)c1ccc(C#N)cn1.
What is the InChIKey of 5-cyano-N-methyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide?
The InChIKey is SWIFXIMLODLBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-17(10-11-4-6-19-7-5-11)14(18)13-3-2-12(8-15)9-16-13/h2-3,9,11H,4-7,10H2,1H3.
What are the key properties of 5-cyano-N-methyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide?
5-cyano-N-methyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-methyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 63770699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).