4-cyano-N-(4-methyl-3-pyridinyl)oxane-4-carboxamide

C13H15N3O2 — CID 63327364

IUPAC4-cyano-N-(4-methyl-3-pyridinyl)oxane-4-carboxamide
SMILESCc1ccncc1NC(=O)C1(C#N)CCOCC1
InChIInChI=1S/C13H15N3O2/c1-10-2-5-15-8-11(10)16-12(17)13(9-14)3-6-18-7-4-13/h2,5,8H,3-4,6-7H2,1H3,(H,16,17)
InChIKeyZMVHRTRNHXTPBQ-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.65
Rot. Bonds2

About 4-cyano-N-(4-methyl-3-pyridinyl)oxane-4-carboxamide

4-cyano-N-(4-methyl-3-pyridinyl)oxane-4-carboxamide (PubChem CID 63327364) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 4-cyano-N-(4-methyl-3-pyridinyl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-cyano-N-(4-methyl-3-pyridinyl)oxane-4-carboxamide
PubChem CID63327364
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name4-cyano-N-(4-methyl-3-pyridinyl)oxane-4-carboxamide
SMILESCc1ccncc1NC(=O)C1(C#N)CCOCC1
InChIInChI=1S/C13H15N3O2/c1-10-2-5-15-8-11(10)16-12(17)13(9-14)3-6-18-7-4-13/h2,5,8H,3-4,6-7H2,1H3,(H,16,17)
InChIKeyZMVHRTRNHXTPBQ-UHFFFAOYSA-N
XLogP1.65
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(4-methyl-3-pyridinyl)oxane-4-carboxamide?
The IUPAC name of 4-cyano-N-(4-methyl-3-pyridinyl)oxane-4-carboxamide (CID 63327364) is 4-cyano-N-(4-methyl-3-pyridinyl)oxane-4-carboxamide.
What is the SMILES notation for 4-cyano-N-(4-methyl-3-pyridinyl)oxane-4-carboxamide?
The canonical SMILES for 4-cyano-N-(4-methyl-3-pyridinyl)oxane-4-carboxamide is Cc1ccncc1NC(=O)C1(C#N)CCOCC1.
What is the InChIKey of 4-cyano-N-(4-methyl-3-pyridinyl)oxane-4-carboxamide?
The InChIKey is ZMVHRTRNHXTPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-10-2-5-15-8-11(10)16-12(17)13(9-14)3-6-18-7-4-13/h2,5,8H,3-4,6-7H2,1H3,(H,16,17).
What are the key properties of 4-cyano-N-(4-methyl-3-pyridinyl)oxane-4-carboxamide?
4-cyano-N-(4-methyl-3-pyridinyl)oxane-4-carboxamide has a molecular weight of 245.28 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(4-methyl-3-pyridinyl)oxane-4-carboxamide is sourced from PubChem (CID 63327364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).