N-[3-(1-butoxyethenyl)-5-methyl-2-pyridinyl]acetamide

C14H20N2O2 — CID 10610573

IUPACN-[3-(1-butoxyethenyl)-5-methyl-2-pyridinyl]acetamide
SMILESC=C(OCCCC)c1cc(C)cnc1NC(C)=O
InChIInChI=1S/C14H20N2O2/c1-5-6-7-18-11(3)13-8-10(2)9-15-14(13)16-12(4)17/h8-9H,3,5-7H2,1-2,4H3,(H,15,16,17)
InChIKeyKWXCMNAHYJRGHZ-UHFFFAOYSA-N
MW248.33 g/mol
LogP3.14
Rot. Bonds6

About N-[3-(1-butoxyethenyl)-5-methyl-2-pyridinyl]acetamide

N-[3-(1-butoxyethenyl)-5-methyl-2-pyridinyl]acetamide (PubChem CID 10610573) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-[3-(1-butoxyethenyl)-5-methyl-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[3-(1-butoxyethenyl)-5-methyl-2-pyridinyl]acetamide
PubChem CID10610573
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-[3-(1-butoxyethenyl)-5-methyl-2-pyridinyl]acetamide
SMILESC=C(OCCCC)c1cc(C)cnc1NC(C)=O
InChIInChI=1S/C14H20N2O2/c1-5-6-7-18-11(3)13-8-10(2)9-15-14(13)16-12(4)17/h8-9H,3,5-7H2,1-2,4H3,(H,15,16,17)
InChIKeyKWXCMNAHYJRGHZ-UHFFFAOYSA-N
XLogP3.14
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1-butoxyethenyl)-5-methyl-2-pyridinyl]acetamide?
The IUPAC name of N-[3-(1-butoxyethenyl)-5-methyl-2-pyridinyl]acetamide (CID 10610573) is N-[3-(1-butoxyethenyl)-5-methyl-2-pyridinyl]acetamide.
What is the SMILES notation for N-[3-(1-butoxyethenyl)-5-methyl-2-pyridinyl]acetamide?
The canonical SMILES for N-[3-(1-butoxyethenyl)-5-methyl-2-pyridinyl]acetamide is C=C(OCCCC)c1cc(C)cnc1NC(C)=O.
What is the InChIKey of N-[3-(1-butoxyethenyl)-5-methyl-2-pyridinyl]acetamide?
The InChIKey is KWXCMNAHYJRGHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-5-6-7-18-11(3)13-8-10(2)9-15-14(13)16-12(4)17/h8-9H,3,5-7H2,1-2,4H3,(H,15,16,17).
What are the key properties of N-[3-(1-butoxyethenyl)-5-methyl-2-pyridinyl]acetamide?
N-[3-(1-butoxyethenyl)-5-methyl-2-pyridinyl]acetamide has a molecular weight of 248.33 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-butoxyethenyl)-5-methyl-2-pyridinyl]acetamide is sourced from PubChem (CID 10610573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).