N-[3-cyano-5-ethyl-4-(furan-2-yl)-6-propyl-2-pyridinyl]acetamide

C17H19N3O2 — CID 694064

IUPACN-[3-cyano-5-ethyl-4-(furan-2-yl)-6-propyl-2-pyridinyl]acetamide
SMILESCCCc1nc(NC(C)=O)c(C#N)c(-c2ccco2)c1CC
InChIInChI=1S/C17H19N3O2/c1-4-7-14-12(5-2)16(15-8-6-9-22-15)13(10-18)17(20-14)19-11(3)21/h6,8-9H,4-5,7H2,1-3H3,(H,19,20,21)
InChIKeyIBMGMBMDZRTWPV-UHFFFAOYSA-N
MW297.36 g/mol
LogP3.69
Rot. Bonds5

About N-[3-cyano-5-ethyl-4-(furan-2-yl)-6-propyl-2-pyridinyl]acetamide

N-[3-cyano-5-ethyl-4-(furan-2-yl)-6-propyl-2-pyridinyl]acetamide (PubChem CID 694064) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is N-[3-cyano-5-ethyl-4-(furan-2-yl)-6-propyl-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[3-cyano-5-ethyl-4-(furan-2-yl)-6-propyl-2-pyridinyl]acetamide
PubChem CID694064
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC NameN-[3-cyano-5-ethyl-4-(furan-2-yl)-6-propyl-2-pyridinyl]acetamide
SMILESCCCc1nc(NC(C)=O)c(C#N)c(-c2ccco2)c1CC
InChIInChI=1S/C17H19N3O2/c1-4-7-14-12(5-2)16(15-8-6-9-22-15)13(10-18)17(20-14)19-11(3)21/h6,8-9H,4-5,7H2,1-3H3,(H,19,20,21)
InChIKeyIBMGMBMDZRTWPV-UHFFFAOYSA-N
XLogP3.69
TPSA78.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-cyano-5-ethyl-4-(furan-2-yl)-6-propyl-2-pyridinyl]acetamide?
The IUPAC name of N-[3-cyano-5-ethyl-4-(furan-2-yl)-6-propyl-2-pyridinyl]acetamide (CID 694064) is N-[3-cyano-5-ethyl-4-(furan-2-yl)-6-propyl-2-pyridinyl]acetamide.
What is the SMILES notation for N-[3-cyano-5-ethyl-4-(furan-2-yl)-6-propyl-2-pyridinyl]acetamide?
The canonical SMILES for N-[3-cyano-5-ethyl-4-(furan-2-yl)-6-propyl-2-pyridinyl]acetamide is CCCc1nc(NC(C)=O)c(C#N)c(-c2ccco2)c1CC.
What is the InChIKey of N-[3-cyano-5-ethyl-4-(furan-2-yl)-6-propyl-2-pyridinyl]acetamide?
The InChIKey is IBMGMBMDZRTWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-4-7-14-12(5-2)16(15-8-6-9-22-15)13(10-18)17(20-14)19-11(3)21/h6,8-9H,4-5,7H2,1-3H3,(H,19,20,21).
What are the key properties of N-[3-cyano-5-ethyl-4-(furan-2-yl)-6-propyl-2-pyridinyl]acetamide?
N-[3-cyano-5-ethyl-4-(furan-2-yl)-6-propyl-2-pyridinyl]acetamide has a molecular weight of 297.36 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyano-5-ethyl-4-(furan-2-yl)-6-propyl-2-pyridinyl]acetamide is sourced from PubChem (CID 694064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).