4-[(4-cyano-2-pyridinyl)oxy]-N-(5-methyl-1,3-thiazol-2-yl)butanamide

C14H14N4O2S — CID 155552810

IUPAC4-[(4-cyano-2-pyridinyl)oxy]-N-(5-methyl-1,3-thiazol-2-yl)butanamide
SMILESCc1cnc(NC(=O)CCCOc2cc(C#N)ccn2)s1
InChIInChI=1S/C14H14N4O2S/c1-10-9-17-14(21-10)18-12(19)3-2-6-20-13-7-11(8-15)4-5-16-13/h4-5,7,9H,2-3,6H2,1H3,(H,17,18,19)
InChIKeyNKBQAZCTPKOQSG-UHFFFAOYSA-N
MW302.36 g/mol
LogP2.52
Rot. Bonds6

About 4-[(4-cyano-2-pyridinyl)oxy]-N-(5-methyl-1,3-thiazol-2-yl)butanamide

4-[(4-cyano-2-pyridinyl)oxy]-N-(5-methyl-1,3-thiazol-2-yl)butanamide (PubChem CID 155552810) has the molecular formula C14H14N4O2S and a molecular weight of 302.36 g/mol. Its IUPAC name is 4-[(4-cyano-2-pyridinyl)oxy]-N-(5-methyl-1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound Name4-[(4-cyano-2-pyridinyl)oxy]-N-(5-methyl-1,3-thiazol-2-yl)butanamide
PubChem CID155552810
Molecular FormulaC14H14N4O2S
Molecular Weight302.36 g/mol
Exact Mass302.08
IUPAC Name4-[(4-cyano-2-pyridinyl)oxy]-N-(5-methyl-1,3-thiazol-2-yl)butanamide
SMILESCc1cnc(NC(=O)CCCOc2cc(C#N)ccn2)s1
InChIInChI=1S/C14H14N4O2S/c1-10-9-17-14(21-10)18-12(19)3-2-6-20-13-7-11(8-15)4-5-16-13/h4-5,7,9H,2-3,6H2,1H3,(H,17,18,19)
InChIKeyNKBQAZCTPKOQSG-UHFFFAOYSA-N
XLogP2.52
TPSA87.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-cyano-2-pyridinyl)oxy]-N-(5-methyl-1,3-thiazol-2-yl)butanamide?
The IUPAC name of 4-[(4-cyano-2-pyridinyl)oxy]-N-(5-methyl-1,3-thiazol-2-yl)butanamide (CID 155552810) is 4-[(4-cyano-2-pyridinyl)oxy]-N-(5-methyl-1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for 4-[(4-cyano-2-pyridinyl)oxy]-N-(5-methyl-1,3-thiazol-2-yl)butanamide?
The canonical SMILES for 4-[(4-cyano-2-pyridinyl)oxy]-N-(5-methyl-1,3-thiazol-2-yl)butanamide is Cc1cnc(NC(=O)CCCOc2cc(C#N)ccn2)s1.
What is the InChIKey of 4-[(4-cyano-2-pyridinyl)oxy]-N-(5-methyl-1,3-thiazol-2-yl)butanamide?
The InChIKey is NKBQAZCTPKOQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2S/c1-10-9-17-14(21-10)18-12(19)3-2-6-20-13-7-11(8-15)4-5-16-13/h4-5,7,9H,2-3,6H2,1H3,(H,17,18,19).
What are the key properties of 4-[(4-cyano-2-pyridinyl)oxy]-N-(5-methyl-1,3-thiazol-2-yl)butanamide?
4-[(4-cyano-2-pyridinyl)oxy]-N-(5-methyl-1,3-thiazol-2-yl)butanamide has a molecular weight of 302.36 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-cyano-2-pyridinyl)oxy]-N-(5-methyl-1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 155552810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).