N-[3-cyano-4-(furan-2-yl)-6-(2-methylpropyl)-2-pyridinyl]acetamide

C16H17N3O2 — CID 711442

IUPACN-[3-cyano-4-(furan-2-yl)-6-(2-methylpropyl)-2-pyridinyl]acetamide
SMILESCC(=O)Nc1nc(CC(C)C)cc(-c2ccco2)c1C#N
InChIInChI=1S/C16H17N3O2/c1-10(2)7-12-8-13(15-5-4-6-21-15)14(9-17)16(19-12)18-11(3)20/h4-6,8,10H,7H2,1-3H3,(H,18,19,20)
InChIKeyIYGUAUGYXZNYII-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.37
Rot. Bonds4

About N-[3-cyano-4-(furan-2-yl)-6-(2-methylpropyl)-2-pyridinyl]acetamide

N-[3-cyano-4-(furan-2-yl)-6-(2-methylpropyl)-2-pyridinyl]acetamide (PubChem CID 711442) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-[3-cyano-4-(furan-2-yl)-6-(2-methylpropyl)-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[3-cyano-4-(furan-2-yl)-6-(2-methylpropyl)-2-pyridinyl]acetamide
PubChem CID711442
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC NameN-[3-cyano-4-(furan-2-yl)-6-(2-methylpropyl)-2-pyridinyl]acetamide
SMILESCC(=O)Nc1nc(CC(C)C)cc(-c2ccco2)c1C#N
InChIInChI=1S/C16H17N3O2/c1-10(2)7-12-8-13(15-5-4-6-21-15)14(9-17)16(19-12)18-11(3)20/h4-6,8,10H,7H2,1-3H3,(H,18,19,20)
InChIKeyIYGUAUGYXZNYII-UHFFFAOYSA-N
XLogP3.37
TPSA78.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-cyano-4-(furan-2-yl)-6-(2-methylpropyl)-2-pyridinyl]acetamide?
The IUPAC name of N-[3-cyano-4-(furan-2-yl)-6-(2-methylpropyl)-2-pyridinyl]acetamide (CID 711442) is N-[3-cyano-4-(furan-2-yl)-6-(2-methylpropyl)-2-pyridinyl]acetamide.
What is the SMILES notation for N-[3-cyano-4-(furan-2-yl)-6-(2-methylpropyl)-2-pyridinyl]acetamide?
The canonical SMILES for N-[3-cyano-4-(furan-2-yl)-6-(2-methylpropyl)-2-pyridinyl]acetamide is CC(=O)Nc1nc(CC(C)C)cc(-c2ccco2)c1C#N.
What is the InChIKey of N-[3-cyano-4-(furan-2-yl)-6-(2-methylpropyl)-2-pyridinyl]acetamide?
The InChIKey is IYGUAUGYXZNYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-10(2)7-12-8-13(15-5-4-6-21-15)14(9-17)16(19-12)18-11(3)20/h4-6,8,10H,7H2,1-3H3,(H,18,19,20).
What are the key properties of N-[3-cyano-4-(furan-2-yl)-6-(2-methylpropyl)-2-pyridinyl]acetamide?
N-[3-cyano-4-(furan-2-yl)-6-(2-methylpropyl)-2-pyridinyl]acetamide has a molecular weight of 283.33 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyano-4-(furan-2-yl)-6-(2-methylpropyl)-2-pyridinyl]acetamide is sourced from PubChem (CID 711442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).